Mon Mar 24 00:34:33 UTC 2025 I: starting to build meep/unstable/amd64 on jenkins on '2025-03-24 00:34'
Mon Mar 24 00:34:33 UTC 2025 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/amd64_13/35961/console.log
Mon Mar 24 00:34:33 UTC 2025 I: Downloading source for unstable/meep=1.29.0-2
--2025-03-24 00:34:33-- http://deb.debian.org/debian/pool/main/m/meep/meep_1.29.0-2.dsc
Connecting to 46.16.76.132:3128... connected.
Proxy request sent, awaiting response... 200 OK
Length: 2495 (2.4K) [text/prs.lines.tag]
Saving to: ‘meep_1.29.0-2.dsc’
0K .. 100% 359M=0s
2025-03-24 00:34:33 (359 MB/s) - ‘meep_1.29.0-2.dsc’ saved [2495/2495]
Mon Mar 24 00:34:33 UTC 2025 I: meep_1.29.0-2.dsc
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512
Format: 3.0 (quilt)
Source: meep
Binary: meep, libmeep33, libmeep-dev, python3-meep
Architecture: any
Version: 1.29.0-2
Maintainer: Thorsten Alteholz <debian@alteholz.de>
Homepage: https://meep.readthedocs.io
Standards-Version: 4.7.0
Vcs-Browser: https://salsa.debian.org/alteholz/meep
Vcs-Git: https://salsa.debian.org/alteholz/meep.git
Testsuite: autopkgtest-pkg-python
Build-Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit
Package-List:
libmeep-dev deb libdevel optional arch=any
libmeep33 deb libs optional arch=any
meep deb science optional arch=any
python3-meep deb python optional arch=any
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c3844f094f3f1eaeea877940ef633821f5276c4d 143868 meep_1.29.0-2.debian.tar.xz
Checksums-Sha256:
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5e370e9b61c62218dd6130a8555e805ee1d709b08545a6c33afb9bbe21ffadf3 143868 meep_1.29.0-2.debian.tar.xz
Files:
411797e008bb3b64583c40925a835be0 45869613 meep_1.29.0.orig.tar.gz
4cf82618e4602d1142fe39f32f49618d 143868 meep_1.29.0-2.debian.tar.xz
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Mon Mar 24 00:34:33 UTC 2025 I: Checking whether the package is not for us
Mon Mar 24 00:34:33 UTC 2025 I: Starting 1st build on remote node ionos11-amd64.debian.net.
Mon Mar 24 00:34:33 UTC 2025 I: Preparing to do remote build '1' on ionos11-amd64.debian.net.
Mon Mar 24 02:28:46 UTC 2025 I: Deleting $TMPDIR on ionos11-amd64.debian.net.
I: pbuilder: network access will be disabled during build
I: Current time: Sun Mar 23 12:34:37 -12 2025
I: pbuilder-time-stamp: 1742776477
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz]
I: copying local configuration
W: --override-config is not set; not updating apt.conf Read the manpage for details.
I: mounting /proc filesystem
I: mounting /sys filesystem
I: creating /{dev,run}/shm
I: mounting /dev/pts filesystem
I: redirecting /dev/ptmx to /dev/pts/ptmx
I: policy-rc.d already exists
I: Copying source file
I: copying [meep_1.29.0-2.dsc]
I: copying [./meep_1.29.0.orig.tar.gz]
I: copying [./meep_1.29.0-2.debian.tar.xz]
I: Extracting source
dpkg-source: warning: cannot verify inline signature for ./meep_1.29.0-2.dsc: unsupported subcommand
dpkg-source: info: extracting meep in meep-1.29.0
dpkg-source: info: unpacking meep_1.29.0.orig.tar.gz
dpkg-source: info: unpacking meep_1.29.0-2.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/1714060/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='amd64'
DEBIAN_FRONTEND='noninteractive'
DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 '
DISTRIBUTION='unstable'
HOME='/root'
HOST_ARCH='amd64'
IFS='
'
INVOCATION_ID='4c8679d618ba43e585e07109d140638f'
LANG='C'
LANGUAGE='en_US:en'
LC_ALL='C'
MAIL='/var/mail/root'
OPTIND='1'
PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
PBCURRENTCOMMANDLINEOPERATION='build'
PBUILDER_OPERATION='build'
PBUILDER_PKGDATADIR='/usr/share/pbuilder'
PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
PBUILDER_SYSCONFDIR='/etc'
PPID='1714060'
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.mdYaW2HY/pbuilderrc_ug0X --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.mdYaW2HY/b1 --logfile b1/build.log meep_1.29.0-2.dsc'
SUDO_GID='111'
SUDO_UID='106'
SUDO_USER='jenkins'
TERM='unknown'
TZ='/usr/share/zoneinfo/Etc/GMT+12'
USER='root'
_='/usr/bin/systemd-run'
http_proxy='http://46.16.76.132:3128'
I: uname -a
Linux ionos11-amd64 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux
I: ls -l /bin
lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin
I: user script /srv/workspace/pbuilder/1714060/tmp/hooks/D02_print_environment finished
-> Attempting to satisfy build-dependencies
-> Creating pbuilder-satisfydepends-dummy package
Package: pbuilder-satisfydepends-dummy
Version: 0.invalid.0
Architecture: amd64
Maintainer: Debian Pbuilder Team <pbuilder-maint@lists.alioth.debian.org>
Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder
This package was created automatically by pbuilder to satisfy the
build-dependencies of the package being currently built.
Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit
dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'.
Selecting previously unselected package pbuilder-satisfydepends-dummy.
(Reading database ... 19807 files and directories currently installed.)
Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ...
Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ...
dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested:
pbuilder-satisfydepends-dummy depends on gfortran; however:
Package gfortran is not installed.
pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however:
Package debhelper-compat is not installed.
pbuilder-satisfydepends-dummy depends on quilt; however:
Package quilt is not installed.
pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however:
Package libctl-dev is not installed.
pbuilder-satisfydepends-dummy depends on pkg-config; however:
Package pkg-config is not installed.
pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however:
Package libharminv-dev is not installed.
pbuilder-satisfydepends-dummy depends on zlib1g-dev; however:
Package zlib1g-dev is not installed.
pbuilder-satisfydepends-dummy depends on libfftw3-dev; however:
Package libfftw3-dev is not installed.
pbuilder-satisfydepends-dummy depends on libgsl-dev; however:
Package libgsl-dev is not installed.
pbuilder-satisfydepends-dummy depends on liblapack-dev; however:
Package liblapack-dev is not installed.
pbuilder-satisfydepends-dummy depends on chrpath; however:
Package chrpath is not installed.
pbuilder-satisfydepends-dummy depends on libblas-dev; however:
Package libblas-dev is not installed.
pbuilder-satisfydepends-dummy depends on libhdf5-dev; however:
Package libhdf5-dev is not installed.
pbuilder-satisfydepends-dummy depends on swig; however:
Package swig is not installed.
pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however:
Package mpb-dev is not installed.
pbuilder-satisfydepends-dummy depends on mpb; however:
Package mpb is not installed.
pbuilder-satisfydepends-dummy depends on python3-dev; however:
Package python3-dev is not installed.
pbuilder-satisfydepends-dummy depends on python3-numpy; however:
Package python3-numpy is not installed.
pbuilder-satisfydepends-dummy depends on python3-h5py; however:
Package python3-h5py is not installed.
pbuilder-satisfydepends-dummy depends on python3-scipy; however:
Package python3-scipy is not installed.
pbuilder-satisfydepends-dummy depends on python3-matplotlib; however:
Package python3-matplotlib is not installed.
pbuilder-satisfydepends-dummy depends on python3-setuptools; however:
Package python3-setuptools is not installed.
pbuilder-satisfydepends-dummy depends on libgdsii-dev; however:
Package libgdsii-dev is not installed.
pbuilder-satisfydepends-dummy depends on architecture-is-64-bit; however:
Package architecture-is-64-bit is not installed.
Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ...
Reading package lists...
Building dependency tree...
Reading state information...
Initializing package states...
Writing extended state information...
Building tag database...
pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0)
pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0)
The following NEW packages will be installed:
architecture-properties{a} autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} comerr-dev{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-x86-64-linux-gnu{a} gfortran-x86-64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} krb5-multidev{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libffi8{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-quad3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgcrypt20{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgnutls30t64{a} libgpg-error0{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libgssrpc4t64{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-310{a} libhdf5-cpp-310{a} libhdf5-dev{a} libhdf5-fortran-310{a} libhdf5-hl-310{a} libhdf5-hl-cpp-310{a} libhdf5-hl-fortran-310{a} libhdf5-openmpi-310{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu76{a} libidn2-0{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkadm5clnt-mit12{a} libkadm5srv-mit12{a} libkdb5-10t64{a} libkeyutils1{a} libkrb5-3{a} libkrb5-dev{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblcms2-2{a} libldap-dev{a} libldap2{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnghttp3-9{a} libnghttp3-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnuma1{a} libopenjp2-7{a} libopenmpi40{a} libp11-kit-dev{a} libp11-kit0{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpsm2-2{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.13{a} libpython3.13-dev{a} libpython3.13-minimal{a} libpython3.13-stdlib{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libunistring5{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-numpy-dev{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-platformdirs{a} python3-pyparsing{a} python3-scipy{a} python3-setuptools{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.13{a} python3.13-dev{a} python3.13-minimal{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a}
The following packages are RECOMMENDED but will NOT be installed:
ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpg-error-l10n libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile python3-pooch python3-yaml shared-mime-info wget xdg-user-dirs
0 packages upgraded, 279 newly installed, 0 to remove and 0 not upgraded.
Need to get 240 MB of archives. After unpacking 990 MB will be used.
Writing extended state information...
Get: 1 http://deb.debian.org/debian unstable/main amd64 libpython3.13-minimal amd64 3.13.2-2 [859 kB]
Get: 2 http://deb.debian.org/debian unstable/main amd64 libexpat1 amd64 2.7.0-1 [107 kB]
Get: 3 http://deb.debian.org/debian unstable/main amd64 python3.13-minimal amd64 3.13.2-2 [2210 kB]
Get: 4 http://deb.debian.org/debian unstable/main amd64 python3-minimal amd64 3.13.2-2 [27.1 kB]
Get: 5 http://deb.debian.org/debian unstable/main amd64 media-types all 13.0.0 [29.3 kB]
Get: 6 http://deb.debian.org/debian unstable/main amd64 netbase all 6.5 [12.4 kB]
Get: 7 http://deb.debian.org/debian unstable/main amd64 tzdata all 2025a-2 [259 kB]
Get: 8 http://deb.debian.org/debian unstable/main amd64 libffi8 amd64 3.4.7-1 [23.9 kB]
Get: 9 http://deb.debian.org/debian unstable/main amd64 readline-common all 8.2-6 [69.4 kB]
Get: 10 http://deb.debian.org/debian unstable/main amd64 libreadline8t64 amd64 8.2-6 [169 kB]
Get: 11 http://deb.debian.org/debian unstable/main amd64 libpython3.13-stdlib amd64 3.13.2-2 [1952 kB]
Get: 12 http://deb.debian.org/debian unstable/main amd64 python3.13 amd64 3.13.2-2 [746 kB]
Get: 13 http://deb.debian.org/debian unstable/main amd64 libpython3-stdlib amd64 3.13.2-2 [10.1 kB]
Get: 14 http://deb.debian.org/debian unstable/main amd64 python3 amd64 3.13.2-2 [28.1 kB]
Get: 15 http://deb.debian.org/debian unstable/main amd64 python3-numpy-dev amd64 1:2.2.3+ds-5 [138 kB]
Get: 16 http://deb.debian.org/debian unstable/main amd64 libblas3 amd64 3.12.1-2 [160 kB]
Get: 17 http://deb.debian.org/debian unstable/main amd64 libgfortran5 amd64 14.2.0-19 [836 kB]
Get: 18 http://deb.debian.org/debian unstable/main amd64 liblapack3 amd64 3.12.1-2 [2452 kB]
Get: 19 http://deb.debian.org/debian unstable/main amd64 python3-numpy amd64 1:2.2.3+ds-5 [5084 kB]
Get: 20 http://deb.debian.org/debian unstable/main amd64 sensible-utils all 0.0.24 [24.8 kB]
Get: 21 http://deb.debian.org/debian unstable/main amd64 libmagic-mgc amd64 1:5.46-3 [337 kB]
Get: 22 http://deb.debian.org/debian unstable/main amd64 libmagic1t64 amd64 1:5.46-3 [109 kB]
Get: 23 http://deb.debian.org/debian unstable/main amd64 file amd64 1:5.46-3 [43.5 kB]
Get: 24 http://deb.debian.org/debian unstable/main amd64 gettext-base amd64 0.23.1-1 [243 kB]
Get: 25 http://deb.debian.org/debian unstable/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB]
Get: 26 http://deb.debian.org/debian unstable/main amd64 groff-base amd64 1.23.0-7 [1185 kB]
Get: 27 http://deb.debian.org/debian unstable/main amd64 bsdextrautils amd64 2.40.4-5 [92.4 kB]
Get: 28 http://deb.debian.org/debian unstable/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB]
Get: 29 http://deb.debian.org/debian unstable/main amd64 man-db amd64 2.13.0-1 [1420 kB]
Get: 30 http://deb.debian.org/debian unstable/main amd64 architecture-properties amd64 0.2.6 [2336 B]
Get: 31 http://deb.debian.org/debian unstable/main amd64 m4 amd64 1.4.19-7 [294 kB]
Get: 32 http://deb.debian.org/debian unstable/main amd64 autoconf all 2.72-3 [493 kB]
Get: 33 http://deb.debian.org/debian unstable/main amd64 autotools-dev all 20240727.1 [60.2 kB]
Get: 34 http://deb.debian.org/debian unstable/main amd64 automake all 1:1.17-4 [862 kB]
Get: 35 http://deb.debian.org/debian unstable/main amd64 autopoint all 0.23.1-1 [770 kB]
Get: 36 http://deb.debian.org/debian unstable/main amd64 libtcl8.6 amd64 8.6.16+dfsg-1 [1042 kB]
Get: 37 http://deb.debian.org/debian unstable/main amd64 libbrotli1 amd64 1.1.0-2+b7 [307 kB]
Get: 38 http://deb.debian.org/debian unstable/main amd64 libpng16-16t64 amd64 1.6.47-1.1 [282 kB]
Get: 39 http://deb.debian.org/debian unstable/main amd64 libfreetype6 amd64 2.13.3+dfsg-1 [452 kB]
Get: 40 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB]
Get: 41 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-core all 2.37-8 [840 kB]
Get: 42 http://deb.debian.org/debian unstable/main amd64 fontconfig-config amd64 2.15.0-2.2 [318 kB]
Get: 43 http://deb.debian.org/debian unstable/main amd64 libfontconfig1 amd64 2.15.0-2.2 [391 kB]
Get: 44 http://deb.debian.org/debian unstable/main amd64 libxau6 amd64 1:1.0.11-1 [20.4 kB]
Get: 45 http://deb.debian.org/debian unstable/main amd64 libxdmcp6 amd64 1:1.1.5-1 [27.8 kB]
Get: 46 http://deb.debian.org/debian unstable/main amd64 libxcb1 amd64 1.17.0-2+b1 [144 kB]
Get: 47 http://deb.debian.org/debian unstable/main amd64 libx11-data all 2:1.8.12-1 [343 kB]
Get: 48 http://deb.debian.org/debian unstable/main amd64 libx11-6 amd64 2:1.8.12-1 [815 kB]
Get: 49 http://deb.debian.org/debian unstable/main amd64 libxrender1 amd64 1:0.9.10-1.1+b4 [27.8 kB]
Get: 50 http://deb.debian.org/debian unstable/main amd64 libxft2 amd64 2.3.6-1+b4 [54.5 kB]
Get: 51 http://deb.debian.org/debian unstable/main amd64 libxext6 amd64 2:1.3.4-1+b3 [50.4 kB]
Get: 52 http://deb.debian.org/debian unstable/main amd64 x11-common all 1:7.7+24 [217 kB]
Get: 53 http://deb.debian.org/debian unstable/main amd64 libxss1 amd64 1:1.2.3-1+b3 [17.0 kB]
Get: 54 http://deb.debian.org/debian unstable/main amd64 libtk8.6 amd64 8.6.16-1 [793 kB]
Get: 55 http://deb.debian.org/debian unstable/main amd64 tk8.6-blt2.5 amd64 2.5.3+dfsg-8 [591 kB]
Get: 56 http://deb.debian.org/debian unstable/main amd64 blt amd64 2.5.3+dfsg-8 [5984 B]
Get: 57 http://deb.debian.org/debian unstable/main amd64 chrpath amd64 0.18-1 [13.5 kB]
Get: 58 http://deb.debian.org/debian unstable/main amd64 libcom-err2 amd64 1.47.2-1+b1 [24.3 kB]
Get: 59 http://deb.debian.org/debian unstable/main amd64 comerr-dev amd64 2.1-1.47.2-1+b1 [56.0 kB]
Get: 60 http://deb.debian.org/debian unstable/main amd64 libdebhelper-perl all 13.24.1 [90.9 kB]
Get: 61 http://deb.debian.org/debian unstable/main amd64 libtool all 2.5.4-4 [539 kB]
Get: 62 http://deb.debian.org/debian unstable/main amd64 dh-autoreconf all 20 [17.1 kB]
Get: 63 http://deb.debian.org/debian unstable/main amd64 libarchive-zip-perl all 1.68-1 [104 kB]
Get: 64 http://deb.debian.org/debian unstable/main amd64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB]
Get: 65 http://deb.debian.org/debian unstable/main amd64 dh-strip-nondeterminism all 1.14.1-2 [8620 B]
Get: 66 http://deb.debian.org/debian unstable/main amd64 libelf1t64 amd64 0.192-4 [189 kB]
Get: 67 http://deb.debian.org/debian unstable/main amd64 dwz amd64 0.15-1+b1 [110 kB]
Get: 68 http://deb.debian.org/debian unstable/main amd64 libunistring5 amd64 1.3-2 [477 kB]
Get: 69 http://deb.debian.org/debian unstable/main amd64 libicu76 amd64 76.1-3 [9721 kB]
Get: 70 http://deb.debian.org/debian unstable/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.3+b1 [699 kB]
Get: 71 http://deb.debian.org/debian unstable/main amd64 gettext amd64 0.23.1-1 [1680 kB]
Get: 72 http://deb.debian.org/debian unstable/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB]
Get: 73 http://deb.debian.org/debian unstable/main amd64 po-debconf all 1.0.21+nmu1 [248 kB]
Get: 74 http://deb.debian.org/debian unstable/main amd64 debhelper all 13.24.1 [920 kB]
Get: 75 http://deb.debian.org/debian unstable/main amd64 diffstat amd64 1.67-1 [35.5 kB]
Get: 76 http://deb.debian.org/debian unstable/main amd64 ed amd64 1.21-1 [61.4 kB]
Get: 77 http://deb.debian.org/debian unstable/main amd64 fonts-lyx all 2.4.3-1 [190 kB]
Get: 78 http://deb.debian.org/debian unstable/main amd64 libgfortran-14-dev amd64 14.2.0-19 [880 kB]
Get: 79 http://deb.debian.org/debian unstable/main amd64 gfortran-14-x86-64-linux-gnu amd64 14.2.0-19 [11.7 MB]
Get: 80 http://deb.debian.org/debian unstable/main amd64 gfortran-14 amd64 14.2.0-19 [14.5 kB]
Get: 81 http://deb.debian.org/debian unstable/main amd64 gfortran-x86-64-linux-gnu amd64 4:14.2.0-1 [1284 B]
Get: 82 http://deb.debian.org/debian unstable/main amd64 gfortran amd64 4:14.2.0-1 [1436 B]
Get: 83 http://deb.debian.org/debian unstable/main amd64 libgc1 amd64 1:8.2.8-1 [247 kB]
Get: 84 http://deb.debian.org/debian unstable/main amd64 guile-3.0-libs amd64 3.0.10+really3.0.10-4 [6877 kB]
Get: 85 http://deb.debian.org/debian unstable/main amd64 guile-3.0 amd64 3.0.10+really3.0.10-4 [22.7 kB]
Get: 86 http://deb.debian.org/debian unstable/main amd64 libncurses6 amd64 6.5+20250216-2 [105 kB]
Get: 87 http://deb.debian.org/debian unstable/main amd64 libncurses-dev amd64 6.5+20250216-2 [353 kB]
Get: 88 http://deb.debian.org/debian unstable/main amd64 libreadline-dev amd64 8.2-6 [153 kB]
Get: 89 http://deb.debian.org/debian unstable/main amd64 libltdl7 amd64 2.5.4-4 [416 kB]
Get: 90 http://deb.debian.org/debian unstable/main amd64 libltdl-dev amd64 2.5.4-4 [168 kB]
Get: 91 http://deb.debian.org/debian unstable/main amd64 libgmpxx4ldbl amd64 2:6.3.0+dfsg-3 [329 kB]
Get: 92 http://deb.debian.org/debian unstable/main amd64 libgmp-dev amd64 2:6.3.0+dfsg-3 [642 kB]
Get: 93 http://deb.debian.org/debian unstable/main amd64 libgc-dev amd64 1:8.2.8-1 [416 kB]
Get: 94 http://deb.debian.org/debian unstable/main amd64 libpkgconf3 amd64 1.8.1-4 [36.4 kB]
Get: 95 http://deb.debian.org/debian unstable/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB]
Get: 96 http://deb.debian.org/debian unstable/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB]
Get: 97 http://deb.debian.org/debian unstable/main amd64 guile-3.0-dev amd64 3.0.10+really3.0.10-4 [151 kB]
Get: 98 http://deb.debian.org/debian unstable/main amd64 hdf5-helpers amd64 1.14.5+repack-3 [26.6 kB]
Get: 99 http://deb.debian.org/debian unstable/main amd64 libnl-3-200 amd64 3.7.0-2 [59.4 kB]
Get: 100 http://deb.debian.org/debian unstable/main amd64 libnl-route-3-200 amd64 3.7.0-2 [182 kB]
Get: 101 http://deb.debian.org/debian unstable/main amd64 libibverbs1 amd64 56.0-3 [62.4 kB]
Get: 102 http://deb.debian.org/debian unstable/main amd64 ibverbs-providers amd64 56.0-3 [357 kB]
Get: 103 http://deb.debian.org/debian unstable/main amd64 libkrb5support0 amd64 1.21.3-5 [33.0 kB]
Get: 104 http://deb.debian.org/debian unstable/main amd64 libk5crypto3 amd64 1.21.3-5 [81.5 kB]
Get: 105 http://deb.debian.org/debian unstable/main amd64 libkeyutils1 amd64 1.6.3-4 [9092 B]
Get: 106 http://deb.debian.org/debian unstable/main amd64 libkrb5-3 amd64 1.21.3-5 [326 kB]
Get: 107 http://deb.debian.org/debian unstable/main amd64 libgssapi-krb5-2 amd64 1.21.3-5 [138 kB]
Get: 108 http://deb.debian.org/debian unstable/main amd64 libgssrpc4t64 amd64 1.21.3-5 [60.0 kB]
Get: 109 http://deb.debian.org/debian unstable/main amd64 libkadm5clnt-mit12 amd64 1.21.3-5 [42.5 kB]
Get: 110 http://deb.debian.org/debian unstable/main amd64 libkdb5-10t64 amd64 1.21.3-5 [42.6 kB]
Get: 111 http://deb.debian.org/debian unstable/main amd64 libkadm5srv-mit12 amd64 1.21.3-5 [54.2 kB]
Get: 112 http://deb.debian.org/debian unstable/main amd64 krb5-multidev amd64 1.21.3-5 [126 kB]
Get: 113 http://deb.debian.org/debian unstable/main amd64 libaec0 amd64 1.1.3-1+b1 [23.8 kB]
Get: 114 http://deb.debian.org/debian unstable/main amd64 libsz2 amd64 1.1.3-1+b1 [8080 B]
Get: 115 http://deb.debian.org/debian unstable/main amd64 libaec-dev amd64 1.1.3-1+b1 [21.5 kB]
Get: 116 http://deb.debian.org/debian unstable/main amd64 libedit2 amd64 3.1-20250104-1 [93.8 kB]
Get: 117 http://deb.debian.org/debian unstable/main amd64 libz3-4 amd64 4.13.3-1 [8560 kB]
Get: 118 http://deb.debian.org/debian unstable/main amd64 libllvm17t64 amd64 1:17.0.6-21+b1 [23.6 MB]
Get: 119 http://deb.debian.org/debian unstable/main amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3+b2 [13.0 MB]
Get: 120 http://deb.debian.org/debian unstable/main amd64 libdrm-common all 2.4.124-1 [8180 B]
Get: 121 http://deb.debian.org/debian unstable/main amd64 libdrm2 amd64 2.4.124-1 [38.9 kB]
Get: 122 http://deb.debian.org/debian unstable/main amd64 libdrm-amdgpu1 amd64 2.4.124-1 [22.4 kB]
Get: 123 http://deb.debian.org/debian unstable/main amd64 libnuma1 amd64 2.0.18-1+b1 [22.3 kB]
Get: 124 http://deb.debian.org/debian unstable/main amd64 libhsakmt1 amd64 6.2.4+ds-1 [61.1 kB]
Get: 125 http://deb.debian.org/debian unstable/main amd64 libhsa-runtime64-1 amd64 6.1.2-3 [535 kB]
Get: 126 http://deb.debian.org/debian unstable/main amd64 libamdhip64-5 amd64 5.7.1-5+b1 [8882 kB]
Get: 127 http://deb.debian.org/debian unstable/main amd64 libblas-dev amd64 3.12.1-2 [170 kB]
Get: 128 http://deb.debian.org/debian unstable/main amd64 libbrotli-dev amd64 1.1.0-2+b7 [316 kB]
Get: 129 http://deb.debian.org/debian unstable/main amd64 libctl7t64 amd64 4.5.1-3 [111 kB]
Get: 130 http://deb.debian.org/debian unstable/main amd64 libctl-dev amd64 4.5.1-3 [105 kB]
Get: 131 http://deb.debian.org/debian unstable/main amd64 libidn2-0 amd64 2.3.8-2 [109 kB]
Get: 132 http://deb.debian.org/debian unstable/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-9 [19.8 kB]
Get: 133 http://deb.debian.org/debian unstable/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-9 [57.5 kB]
Get: 134 http://deb.debian.org/debian unstable/main amd64 libldap2 amd64 2.6.9+dfsg-2 [194 kB]
Get: 135 http://deb.debian.org/debian unstable/main amd64 libnghttp2-14 amd64 1.64.0-1 [75.5 kB]
Get: 136 http://deb.debian.org/debian unstable/main amd64 libnghttp3-9 amd64 1.8.0-1 [67.7 kB]
Get: 137 http://deb.debian.org/debian unstable/main amd64 libpsl5t64 amd64 0.21.2-1.1+b1 [57.2 kB]
Get: 138 http://deb.debian.org/debian unstable/main amd64 libp11-kit0 amd64 0.25.5-3 [425 kB]
Get: 139 http://deb.debian.org/debian unstable/main amd64 libtasn1-6 amd64 4.20.0-2 [49.9 kB]
Get: 140 http://deb.debian.org/debian unstable/main amd64 libgnutls30t64 amd64 3.8.9-2 [1464 kB]
Get: 141 http://deb.debian.org/debian unstable/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b5 [58.8 kB]
Get: 142 http://deb.debian.org/debian unstable/main amd64 libssh2-1t64 amd64 1.11.1-1 [245 kB]
Get: 143 http://deb.debian.org/debian unstable/main amd64 libcurl4t64 amd64 8.13.0~rc2-2 [380 kB]
Get: 144 http://deb.debian.org/debian unstable/main amd64 libidn2-dev amd64 2.3.8-2 [103 kB]
Get: 145 http://deb.debian.org/debian unstable/main amd64 libkrb5-dev amd64 1.21.3-5 [16.1 kB]
Get: 146 http://deb.debian.org/debian unstable/main amd64 libldap-dev amd64 2.6.9+dfsg-2 [311 kB]
Get: 147 http://deb.debian.org/debian unstable/main amd64 libnghttp2-dev amd64 1.64.0-1 [115 kB]
Get: 148 http://deb.debian.org/debian unstable/main amd64 libnghttp3-dev amd64 1.8.0-1 [91.3 kB]
Get: 149 http://deb.debian.org/debian unstable/main amd64 libpsl-dev amd64 0.21.2-1.1+b1 [77.6 kB]
Get: 150 http://deb.debian.org/debian unstable/main amd64 libevent-2.1-7t64 amd64 2.1.12-stable-10+b1 [182 kB]
Get: 151 http://deb.debian.org/debian unstable/main amd64 libunbound8 amd64 1.22.0-1+b1 [598 kB]
Get: 152 http://deb.debian.org/debian unstable/main amd64 libgnutls-dane0t64 amd64 3.8.9-2 [455 kB]
Get: 153 http://deb.debian.org/debian unstable/main amd64 libgnutls-openssl27t64 amd64 3.8.9-2 [455 kB]
Get: 154 http://deb.debian.org/debian unstable/main amd64 libp11-kit-dev amd64 0.25.5-3 [208 kB]
Get: 155 http://deb.debian.org/debian unstable/main amd64 libtasn1-6-dev amd64 4.20.0-2 [99.2 kB]
Get: 156 http://deb.debian.org/debian unstable/main amd64 nettle-dev amd64 3.10.1-1 [1318 kB]
Get: 157 http://deb.debian.org/debian unstable/main amd64 libgnutls28-dev amd64 3.8.9-2 [1401 kB]
Get: 158 http://deb.debian.org/debian unstable/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1+b1 [920 kB]
Get: 159 http://deb.debian.org/debian unstable/main amd64 librtmp-dev amd64 2.4+20151223.gitfa8646d.1-2+b5 [68.0 kB]
Get: 160 http://deb.debian.org/debian unstable/main amd64 libssl-dev amd64 3.4.1-1 [2787 kB]
Get: 161 http://deb.debian.org/debian unstable/main amd64 libssh2-1-dev amd64 1.11.1-1 [393 kB]
Get: 162 http://deb.debian.org/debian unstable/main amd64 libzstd-dev amd64 1.5.7+dfsg-1 [371 kB]
Get: 163 http://deb.debian.org/debian unstable/main amd64 libcurl4-openssl-dev amd64 8.13.0~rc2-2 [497 kB]
Get: 164 http://deb.debian.org/debian unstable/main amd64 libdeflate0 amd64 1.23-1+b1 [47.5 kB]
Get: 165 http://deb.debian.org/debian unstable/main amd64 libevent-core-2.1-7t64 amd64 2.1.12-stable-10+b1 [132 kB]
Get: 166 http://deb.debian.org/debian unstable/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10+b1 [54.3 kB]
Get: 167 http://deb.debian.org/debian unstable/main amd64 libexpat1-dev amd64 2.7.0-1 [160 kB]
Get: 168 http://deb.debian.org/debian unstable/main amd64 libpsm2-2 amd64 11.2.185-2.1 [181 kB]
Get: 169 http://deb.debian.org/debian unstable/main amd64 librdmacm1t64 amd64 56.0-3 [70.1 kB]
Get: 170 http://deb.debian.org/debian unstable/main amd64 libfabric1 amd64 2.0.0-4 [700 kB]
Get: 171 http://deb.debian.org/debian unstable/main amd64 libfftw3-double3 amd64 3.3.10-2+b1 [781 kB]
Get: 172 http://deb.debian.org/debian unstable/main amd64 libfftw3-long3 amd64 3.3.10-2+b1 [347 kB]
Get: 173 http://deb.debian.org/debian unstable/main amd64 libfftw3-quad3 amd64 3.3.10-2+b1 [618 kB]
Get: 174 http://deb.debian.org/debian unstable/main amd64 libfftw3-single3 amd64 3.3.10-2+b1 [809 kB]
Get: 175 http://deb.debian.org/debian unstable/main amd64 libfftw3-bin amd64 3.3.10-2+b1 [51.3 kB]
Get: 176 http://deb.debian.org/debian unstable/main amd64 libfftw3-dev amd64 3.3.10-2+b1 [2118 kB]
Get: 177 http://deb.debian.org/debian unstable/main amd64 libfribidi0 amd64 1.0.16-1 [26.5 kB]
Get: 178 http://deb.debian.org/debian unstable/main amd64 libgpg-error0 amd64 1.51-4 [82.1 kB]
Get: 179 http://deb.debian.org/debian unstable/main amd64 libgcrypt20 amd64 1.11.0-7 [843 kB]
Get: 180 http://deb.debian.org/debian unstable/main amd64 libgdsii0 amd64 0.2+ds.1-1+b2 [31.9 kB]
Get: 181 http://deb.debian.org/debian unstable/main amd64 libgdsii-dev amd64 0.2+ds.1-1+b2 [36.2 kB]
Get: 182 http://deb.debian.org/debian unstable/main amd64 libglib2.0-0t64 amd64 2.84.0-2 [1513 kB]
Get: 183 http://deb.debian.org/debian unstable/main amd64 libgraphite2-3 amd64 1.3.14-2+b1 [75.4 kB]
Get: 184 http://deb.debian.org/debian unstable/main amd64 libgslcblas0 amd64 2.8+dfsg-5 [116 kB]
Get: 185 http://deb.debian.org/debian unstable/main amd64 libgsl28 amd64 2.8+dfsg-5 [994 kB]
Get: 186 http://deb.debian.org/debian unstable/main amd64 libgsl-dev amd64 2.8+dfsg-5 [1222 kB]
Get: 187 http://deb.debian.org/debian unstable/main amd64 libharfbuzz0b amd64 10.2.0-1+b1 [479 kB]
Get: 188 http://deb.debian.org/debian unstable/main amd64 libharminv3 amd64 1.4.2-1 [18.0 kB]
Get: 189 http://deb.debian.org/debian unstable/main amd64 libharminv-dev amd64 1.4.2-1 [15.8 kB]
Get: 190 http://deb.debian.org/debian unstable/main amd64 libhdf5-310 amd64 1.14.5+repack-3 [1344 kB]
Get: 191 http://deb.debian.org/debian unstable/main amd64 libhdf5-cpp-310 amd64 1.14.5+repack-3 [133 kB]
Get: 192 http://deb.debian.org/debian unstable/main amd64 libhdf5-fortran-310 amd64 1.14.5+repack-3 [111 kB]
Get: 193 http://deb.debian.org/debian unstable/main amd64 libhdf5-hl-310 amd64 1.14.5+repack-3 [69.3 kB]
Get: 194 http://deb.debian.org/debian unstable/main amd64 libhdf5-hl-fortran-310 amd64 1.14.5+repack-3 [43.9 kB]
Get: 195 http://deb.debian.org/debian unstable/main amd64 libhdf5-hl-cpp-310 amd64 1.14.5+repack-3 [24.4 kB]
Get: 196 http://deb.debian.org/debian unstable/main amd64 libjpeg62-turbo amd64 1:2.1.5-3.1 [168 kB]
Get: 197 http://deb.debian.org/debian unstable/main amd64 libjpeg62-turbo-dev amd64 1:2.1.5-3.1 [292 kB]
Get: 198 http://deb.debian.org/debian unstable/main amd64 libjpeg-dev amd64 1:2.1.5-3.1 [72.0 kB]
Get: 199 http://deb.debian.org/debian unstable/main amd64 libhdf5-dev amd64 1.14.5+repack-3 [3165 kB]
Get: 200 http://deb.debian.org/debian unstable/main amd64 libhwloc15 amd64 2.12.0-1 [164 kB]
Get: 201 http://deb.debian.org/debian unstable/main amd64 libmunge2 amd64 0.5.16-1 [19.7 kB]
Get: 202 http://deb.debian.org/debian unstable/main amd64 libpciaccess0 amd64 0.17-3+b3 [51.9 kB]
Get: 203 http://deb.debian.org/debian unstable/main amd64 libxnvctrl0 amd64 535.171.04-1+b2 [14.2 kB]
Get: 204 http://deb.debian.org/debian unstable/main amd64 ocl-icd-libopencl1 amd64 2.3.2-1+b2 [40.2 kB]
Get: 205 http://deb.debian.org/debian unstable/main amd64 libhwloc-plugins amd64 2.12.0-1 [18.1 kB]
Get: 206 http://deb.debian.org/debian unstable/main amd64 libpmix2t64 amd64 5.0.7-1 [660 kB]
Get: 207 http://deb.debian.org/debian unstable/main amd64 libibumad3 amd64 56.0-3 [29.9 kB]
Get: 208 http://deb.debian.org/debian unstable/main amd64 libibmad5 amd64 56.0-3 [44.4 kB]
Get: 209 http://deb.debian.org/debian unstable/main amd64 libucx0 amd64 1.18.1+ds-2+b1 [1196 kB]
Get: 210 http://deb.debian.org/debian unstable/main amd64 libopenmpi40 amd64 5.0.7-1 [2365 kB]
Get: 211 http://deb.debian.org/debian unstable/main amd64 libhdf5-openmpi-310 amd64 1.14.5+repack-3 [1395 kB]
Get: 212 http://deb.debian.org/debian unstable/main amd64 libimagequant0 amd64 2.18.0-1+b2 [35.2 kB]
Get: 213 http://deb.debian.org/debian unstable/main amd64 libjbig0 amd64 2.1-6.1+b2 [32.1 kB]
Get: 214 http://deb.debian.org/debian unstable/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB]
Get: 215 http://deb.debian.org/debian unstable/main amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB]
Get: 216 http://deb.debian.org/debian unstable/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB]
Get: 217 http://deb.debian.org/debian unstable/main amd64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB]
Get: 218 http://deb.debian.org/debian unstable/main amd64 liblapack-dev amd64 3.12.1-2 [4998 kB]
Get: 219 http://deb.debian.org/debian unstable/main amd64 liblcms2-2 amd64 2.16-2 [160 kB]
Get: 220 http://deb.debian.org/debian unstable/main amd64 liblerc4 amd64 4.0.0+ds-5 [183 kB]
Get: 221 http://deb.debian.org/debian unstable/main amd64 liblzf1 amd64 3.6-4+b3 [10.1 kB]
Get: 222 http://deb.debian.org/debian unstable/main amd64 libopenjp2-7 amd64 2.5.3-2 [204 kB]
Get: 223 http://deb.debian.org/debian unstable/main amd64 libpython3.13 amd64 3.13.2-2 [2155 kB]
Get: 224 http://deb.debian.org/debian unstable/main amd64 libpython3.13-dev amd64 3.13.2-2 [5009 kB]
Get: 225 http://deb.debian.org/debian unstable/main amd64 libpython3-dev amd64 3.13.2-2 [10.3 kB]
Get: 226 http://deb.debian.org/debian unstable/main amd64 libqhull-r8.0 amd64 2020.2-6+b2 [248 kB]
Get: 227 http://deb.debian.org/debian unstable/main amd64 libraqm0 amd64 0.10.2-1 [13.9 kB]
Get: 228 http://deb.debian.org/debian unstable/main amd64 libsharpyuv0 amd64 1.5.0-0.1 [116 kB]
Get: 229 http://deb.debian.org/debian unstable/main amd64 libwebp7 amd64 1.5.0-0.1 [318 kB]
Get: 230 http://deb.debian.org/debian unstable/main amd64 libtiff6 amd64 4.5.1+git230720-5 [324 kB]
Get: 231 http://deb.debian.org/debian unstable/main amd64 libwebpdemux2 amd64 1.5.0-0.1 [113 kB]
Get: 232 http://deb.debian.org/debian unstable/main amd64 libwebpmux3 amd64 1.5.0-0.1 [126 kB]
Get: 233 http://deb.debian.org/debian unstable/main amd64 libxslt1.1 amd64 1.1.35-1.2 [233 kB]
Get: 234 http://deb.debian.org/debian unstable/main amd64 mpb-scm all 1.11.1-6 [12.0 kB]
Get: 235 http://deb.debian.org/debian unstable/main amd64 mpb amd64 1.11.1-6+b2 [218 kB]
Get: 236 http://deb.debian.org/debian unstable/main amd64 mpb-dev amd64 1.11.1-6+b2 [8448 B]
Get: 237 http://deb.debian.org/debian unstable/main amd64 python-matplotlib-data all 3.8.3-7 [2735 kB]
Get: 238 http://deb.debian.org/debian unstable/main amd64 python3-attr all 25.1.0-1 [68.7 kB]
Get: 239 http://deb.debian.org/debian unstable/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB]
Get: 240 http://deb.debian.org/debian unstable/main amd64 python3-brotli amd64 1.1.0-2+b7 [320 kB]
Get: 241 http://deb.debian.org/debian unstable/main amd64 python3-contourpy amd64 1.3.1-1+b1 [216 kB]
Get: 242 http://deb.debian.org/debian unstable/main amd64 python3-cycler all 0.12.1-1 [9496 B]
Get: 243 http://deb.debian.org/debian unstable/main amd64 python3-dateutil all 2.9.0-4 [79.4 kB]
Get: 244 http://deb.debian.org/debian unstable/main amd64 python3-decorator all 5.1.1-5 [15.1 kB]
Get: 245 http://deb.debian.org/debian unstable/main amd64 python3.13-dev amd64 3.13.2-2 [506 kB]
Get: 246 http://deb.debian.org/debian unstable/main amd64 python3-dev amd64 3.13.2-2 [26.1 kB]
Get: 247 http://deb.debian.org/debian unstable/main amd64 python3-platformdirs all 4.3.6-1 [16.6 kB]
Get: 248 http://deb.debian.org/debian unstable/main amd64 python3-fs all 2.4.16-7 [95.2 kB]
Get: 249 http://deb.debian.org/debian unstable/main amd64 python3-lxml amd64 5.3.1-1+b1 [1288 kB]
Get: 250 http://deb.debian.org/debian unstable/main amd64 python3-lz4 amd64 4.4.0+dfsg-1+b1 [25.5 kB]
Get: 251 http://deb.debian.org/debian unstable/main amd64 python3-scipy amd64 1.15.2-6 [16.3 MB]
Get: 252 http://deb.debian.org/debian unstable/main amd64 python3-mpmath all 1.3.0-1 [419 kB]
Get: 253 http://deb.debian.org/debian unstable/main amd64 python3-sympy all 1.13.3-5 [4148 kB]
Get: 254 http://deb.debian.org/debian unstable/main amd64 python3-ufolib2 all 0.17.0+dfsg1-1 [33.0 kB]
Get: 255 http://deb.debian.org/debian unstable/main amd64 python3-unicodedata2 amd64 15.1.0+ds-1+b4 [299 kB]
Get: 256 http://deb.debian.org/debian unstable/main amd64 unicode-data all 15.1.0-1 [8547 kB]
Get: 257 http://deb.debian.org/debian unstable/main amd64 python3-fonttools amd64 4.55.3-2+b1 [1448 kB]
Get: 258 http://deb.debian.org/debian unstable/main amd64 python3-h5py-serial amd64 3.13.0-1+b1 [1065 kB]
Get: 259 http://deb.debian.org/debian unstable/main amd64 python3-h5py all 3.13.0-1 [15.0 kB]
Get: 260 http://deb.debian.org/debian unstable/main amd64 python3-more-itertools all 10.6.0-1 [65.3 kB]
Get: 261 http://deb.debian.org/debian unstable/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB]
Get: 262 http://deb.debian.org/debian unstable/main amd64 python3-typeguard all 4.4.2-1 [37.3 kB]
Get: 263 http://deb.debian.org/debian unstable/main amd64 python3-inflect all 7.3.1-2 [32.4 kB]
Get: 264 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB]
Get: 265 http://deb.debian.org/debian unstable/main amd64 python3-pkg-resources all 75.8.0-1 [222 kB]
Get: 266 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.text all 4.0.0-1 [11.4 kB]
Get: 267 http://deb.debian.org/debian unstable/main amd64 python3-zipp all 3.21.0-1 [10.6 kB]
Get: 268 http://deb.debian.org/debian unstable/main amd64 python3-setuptools all 75.8.0-1 [724 kB]
Get: 269 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.context all 6.0.1-1 [8276 B]
Get: 270 http://deb.debian.org/debian unstable/main amd64 python3-kiwisolver amd64 1.4.7-3+b1 [62.0 kB]
Get: 271 http://deb.debian.org/debian unstable/main amd64 python3-pil amd64 11.1.0-5+b1 [513 kB]
Get: 272 http://deb.debian.org/debian unstable/main amd64 python3.13-tk amd64 3.13.2-2 [107 kB]
Get: 273 http://deb.debian.org/debian unstable/main amd64 python3-tk amd64 3.13.2-1 [9516 B]
Get: 274 http://deb.debian.org/debian unstable/main amd64 python3-pil.imagetk amd64 11.1.0-5+b1 [81.6 kB]
Get: 275 http://deb.debian.org/debian unstable/main amd64 python3-pyparsing all 3.1.2-1 [146 kB]
Get: 276 http://deb.debian.org/debian unstable/main amd64 python3-packaging all 24.2-1 [55.3 kB]
Get: 277 http://deb.debian.org/debian unstable/main amd64 python3-matplotlib amd64 3.8.3-7+b1 [23.0 MB]
Get: 278 http://deb.debian.org/debian unstable/main amd64 quilt all 0.68-1 [437 kB]
Get: 279 http://deb.debian.org/debian unstable/main amd64 swig amd64 4.3.0-1 [1503 kB]
Fetched 240 MB in 16s (15.1 MB/s)
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Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8 to /lib/x86_64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64'
Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8.2 to /lib/x86_64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64'
Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8 to /lib/x86_64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64'
Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8.2 to /lib/x86_64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64'
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Setting up libqhull-r8.0:amd64 (2020.2-6+b2) ...
Setting up libibmad5:amd64 (56.0-3) ...
Setting up libcom-err2:amd64 (1.47.2-1+b1) ...
Setting up file (1:5.46-3) ...
Setting up libjbig0:amd64 (2.1-6.1+b2) ...
Setting up libaec0:amd64 (1.1.3-1+b1) ...
Setting up libelf1t64:amd64 (0.192-4) ...
Setting up libkrb5support0:amd64 (1.21.3-5) ...
Setting up libsasl2-modules-db:amd64 (2.1.28+dfsg1-9) ...
Setting up tzdata (2025a-2) ...
Current default time zone: 'Etc/UTC'
Local time is now: Mon Mar 24 00:40:01 UTC 2025.
Universal Time is now: Mon Mar 24 00:40:01 UTC 2025.
Run 'dpkg-reconfigure tzdata' if you wish to change it.
Setting up unicode-data (15.1.0-1) ...
Setting up autotools-dev (20240727.1) ...
Setting up libz3-4:amd64 (4.13.3-1) ...
Setting up libblas3:amd64 (3.12.1-2) ...
update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode
Setting up libunbound8:amd64 (1.22.0-1+b1) ...
Setting up libpkgconf3:amd64 (1.8.1-4) ...
Setting up libgmpxx4ldbl:amd64 (2:6.3.0+dfsg-3) ...
Setting up libmunge2:amd64 (0.5.16-1) ...
Setting up libexpat1-dev:amd64 (2.7.0-1) ...
Setting up libjpeg62-turbo:amd64 (1:2.1.5-3.1) ...
Setting up libx11-data (2:1.8.12-1) ...
Setting up libjpeg62-turbo-dev:amd64 (1:2.1.5-3.1) ...
Setting up ed (1.21-1) ...
Setting up libncurses6:amd64 (6.5+20250216-2) ...
Setting up liblzf1:amd64 (3.6-4+b3) ...
Setting up libfftw3-quad3:amd64 (3.3.10-2+b1) ...
Setting up libfribidi0:amd64 (1.0.16-1) ...
Setting up diffstat (1.67-1) ...
Setting up libimagequant0:amd64 (2.18.0-1+b2) ...
Setting up comerr-dev:amd64 (2.1-1.47.2-1+b1) ...
Setting up libunistring5:amd64 (1.3-2) ...
Setting up fonts-dejavu-mono (2.37-8) ...
Setting up libssl-dev:amd64 (3.4.1-1) ...
Setting up libpng16-16t64:amd64 (1.6.47-1.1) ...
Setting up libhwloc15:amd64 (2.12.0-1) ...
Setting up python3-numpy-dev:amd64 (1:2.2.3+ds-5) ...
Setting up libtcl8.6:amd64 (8.6.16+dfsg-1) ...
Setting up autopoint (0.23.1-1) ...
Setting up fonts-dejavu-core (2.37-8) ...
Setting up pkgconf-bin (1.8.1-4) ...
Setting up libk5crypto3:amd64 (1.21.3-5) ...
Setting up libgc1:amd64 (1:8.2.8-1) ...
Setting up libltdl7:amd64 (2.5.4-4) ...
Setting up libfftw3-double3:amd64 (3.3.10-2+b1) ...
Setting up libsasl2-2:amd64 (2.1.28+dfsg1-9) ...
Setting up libgfortran5:amd64 (14.2.0-19) ...
Setting up autoconf (2.72-3) ...
Setting up libnghttp3-9:amd64 (1.8.0-1) ...
Setting up libwebp7:amd64 (1.5.0-0.1) ...
Setting up libnghttp3-dev:amd64 (1.8.0-1) ...
Setting up zlib1g-dev:amd64 (1:1.3.dfsg+really1.3.1-1+b1) ...
Setting up libffi8:amd64 (3.4.7-1) ...
Setting up libnuma1:amd64 (2.0.18-1+b1) ...
Setting up dwz (0.15-1+b1) ...
Setting up sensible-utils (0.0.24) ...
Setting up ocl-icd-libopencl1:amd64 (2.3.2-1+b2) ...
Setting up libtiff6:amd64 (4.5.1+git230720-5) ...
Setting up libuchardet0:amd64 (0.0.8-1+b2) ...
Setting up libnl-3-200:amd64 (3.7.0-2) ...
Setting up libpsm2-2 (11.2.185-2.1) ...
Setting up libtasn1-6:amd64 (4.20.0-2) ...
Setting up libopenjp2-7:amd64 (2.5.3-2) ...
Setting up libx11-6:amd64 (2:1.8.12-1) ...
Setting up netbase (6.5) ...
Setting up libkrb5-3:amd64 (1.21.3-5) ...
Setting up libevent-core-2.1-7t64:amd64 (2.1.12-stable-10+b1) ...
Setting up libicu76:amd64 (76.1-3) ...
Setting up libssh2-1t64:amd64 (1.11.1-1) ...
Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ...
Setting up libgsl28:amd64 (2.8+dfsg-5) ...
Setting up python-matplotlib-data (3.8.3-7) ...
Setting up libgc-dev:amd64 (1:8.2.8-1) ...
Setting up libtasn1-6-dev:amd64 (4.20.0-2) ...
Setting up libwebpmux3:amd64 (1.5.0-0.1) ...
Setting up libgdsii0:amd64 (0.2+ds.1-1+b2) ...
Setting up libdrm-common (2.4.124-1) ...
Setting up readline-common (8.2-6) ...
Setting up libxml2:amd64 (2.12.7+dfsg+really2.9.14-0.3+b1) ...
Setting up libldap2:amd64 (2.6.9+dfsg-2) ...
Setting up libbrotli-dev:amd64 (1.1.0-2+b7) ...
Setting up chrpath (0.18-1) ...
Setting up libblas-dev:amd64 (3.12.1-2) ...
update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so to provide /usr/lib/x86_64-linux-gnu/libblas.so (libblas.so-x86_64-linux-gnu) in auto mode
Setting up libsz2:amd64 (1.1.3-1+b1) ...
Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ...
Setting up automake (1:1.17-4) ...
update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode
Setting up libgfortran-14-dev:amd64 (14.2.0-19) ...
Setting up libfile-stripnondeterminism-perl (1.14.1-2) ...
Setting up liblapack3:amd64 (3.12.1-2) ...
update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode
Setting up libncurses-dev:amd64 (6.5+20250216-2) ...
Setting up gettext (0.23.1-1) ...
Setting up libgsl-dev (2.8+dfsg-5) ...
Setting up libgmp-dev:amd64 (2:6.3.0+dfsg-3) ...
Setting up nettle-dev:amd64 (3.10.1-1) ...
Setting up libxrender1:amd64 (1:0.9.10-1.1+b4) ...
Setting up libtool (2.5.4-4) ...
Setting up libfftw3-bin (3.3.10-2+b1) ...
Setting up libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10+b1) ...
Setting up fontconfig-config (2.15.0-2.2) ...
Setting up libgdsii-dev:amd64 (0.2+ds.1-1+b2) ...
Setting up libwebpdemux2:amd64 (1.5.0-0.1) ...
Setting up libaec-dev:amd64 (1.1.3-1+b1) ...
Setting up libjpeg-dev:amd64 (1:2.1.5-3.1) ...
Setting up libxext6:amd64 (2:1.3.4-1+b3) ...
Setting up quilt (0.68-1) ...
Setting up libidn2-0:amd64 (2.3.8-2) ...
Setting up gfortran-14-x86-64-linux-gnu (14.2.0-19) ...
Setting up pkgconf:amd64 (1.8.1-4) ...
Setting up intltool-debian (0.35.0+20060710.6) ...
Setting up libnl-route-3-200:amd64 (3.7.0-2) ...
Setting up libxnvctrl0:amd64 (535.171.04-1+b2) ...
Setting up dh-autoreconf (20) ...
Setting up libltdl-dev:amd64 (2.5.4-4) ...
Setting up libglib2.0-0t64:amd64 (2.84.0-2) ...
No schema files found: doing nothing.
Setting up libjs-jquery-ui (1.13.2+dfsg-1) ...
Setting up libllvm17t64:amd64 (1:17.0.6-21+b1) ...
Setting up libfreetype6:amd64 (2.13.3+dfsg-1) ...
Setting up libldap-dev:amd64 (2.6.9+dfsg-2) ...
Setting up libp11-kit0:amd64 (0.25.5-3) ...
Setting up liblapack-dev:amd64 (3.12.1-2) ...
update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so to provide /usr/lib/x86_64-linux-gnu/liblapack.so (liblapack.so-x86_64-linux-gnu) in auto mode
Setting up libgssapi-krb5-2:amd64 (1.21.3-5) ...
Setting up libssh2-1-dev:amd64 (1.11.1-1) ...
Setting up libidn2-dev:amd64 (2.3.8-2) ...
Setting up libjs-sphinxdoc (8.1.3-5) ...
Setting up libharminv3 (1.4.2-1) ...
Setting up libreadline8t64:amd64 (8.2-6) ...
Setting up dh-strip-nondeterminism (1.14.1-2) ...
Setting up libdrm2:amd64 (2.4.124-1) ...
Setting up groff-base (1.23.0-7) ...
Setting up libxslt1.1:amd64 (1.1.35-1.2) ...
Setting up libharfbuzz0b:amd64 (10.2.0-1+b1) ...
Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3+b2) ...
Setting up libxss1:amd64 (1:1.2.3-1+b3) ...
Setting up libfontconfig1:amd64 (2.15.0-2.2) ...
Setting up gfortran-14 (14.2.0-19) ...
Setting up libharminv-dev (1.4.2-1) ...
Setting up libpython3.13-stdlib:amd64 (3.13.2-2) ...
Setting up libfftw3-dev:amd64 (3.3.10-2+b1) ...
Setting up libp11-kit-dev:amd64 (0.25.5-3) ...
Setting up libpython3-stdlib:amd64 (3.13.2-2) ...
Setting up libdrm-amdgpu1:amd64 (2.4.124-1) ...
Setting up libpython3.13:amd64 (3.13.2-2) ...
Setting up libgnutls30t64:amd64 (3.8.9-2) ...
Setting up libgnutls-openssl27t64:amd64 (3.8.9-2) ...
Setting up libnghttp2-dev:amd64 (1.64.0-1) ...
Setting up libibverbs1:amd64 (56.0-3) ...
Setting up libxft2:amd64 (2.3.6-1+b4) ...
Setting up ibverbs-providers:amd64 (56.0-3) ...
Setting up python3.13 (3.13.2-2) ...
Setting up guile-3.0-libs:amd64 (3.0.10+really3.0.10-4) ...
Setting up po-debconf (1.0.21+nmu1) ...
Setting up libtk8.6:amd64 (8.6.16-1) ...
Setting up libpsl5t64:amd64 (0.21.2-1.1+b1) ...
Setting up libctl7t64:amd64 (4.5.1-3) ...
Setting up python3 (3.13.2-2) ...
Setting up libreadline-dev:amd64 (8.2-6) ...
Setting up python3-zipp (3.21.0-1) ...
Setting up python3-autocommand (2.2.2-3) ...
Setting up libhwloc-plugins:amd64 (2.12.0-1) ...
Setting up man-db (2.13.0-1) ...
Not building database; man-db/auto-update is not 'true'.
Setting up gfortran-x86-64-linux-gnu (4:14.2.0-1) ...
Setting up gfortran (4:14.2.0-1) ...
update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode
update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode
Setting up python3.13-tk (3.13.2-2) ...
Setting up python3-platformdirs (4.3.6-1) ...
Setting up libpsl-dev:amd64 (0.21.2-1.1+b1) ...
Setting up python3-fs (2.4.16-7) ...
Setting up python3-decorator (5.1.1-5) ...
Setting up python3-packaging (24.2-1) ...
Setting up python3-pyparsing (3.1.2-1) ...
Setting up libgnutls-dane0t64:amd64 (3.8.9-2) ...
Setting up librtmp1:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ...
Setting up libgssrpc4t64:amd64 (1.21.3-5) ...
Setting up python3-brotli (1.1.0-2+b7) ...
Setting up libraqm0:amd64 (0.10.2-1) ...
Setting up libpython3.13-dev:amd64 (3.13.2-2) ...
Setting up python3-cycler (0.12.1-1) ...
Setting up python3-kiwisolver (1.4.7-3+b1) ...
Setting up python3-typing-extensions (4.12.2-2) ...
Setting up libpmix2t64:amd64 (5.0.7-1) ...
Setting up python3-numpy (1:2.2.3+ds-5) ...
Setting up python3-lxml:amd64 (5.3.1-1+b1) ...
Setting up librdmacm1t64:amd64 (56.0-3) ...
Setting up python3-dateutil (2.9.0-4) ...
Setting up python3-contourpy (1.3.1-1+b1) ...
Setting up python3-mpmath (1.3.0-1) ...
Setting up guile-3.0 (3.0.10+really3.0.10-4) ...
update-alternatives: using /usr/lib/x86_64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode
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Setting up python3-more-itertools (10.6.0-1) ...
Setting up libfabric1:amd64 (2.0.0-4) ...
Setting up python3-sympy (1.13.3-5) ...
Setting up python3-attr (25.1.0-1) ...
Setting up tk8.6-blt2.5 (2.5.3+dfsg-8) ...
Setting up python3-scipy (1.15.2-6) ...
Setting up libpython3-dev:amd64 (3.13.2-2) ...
Setting up python3-jaraco.functools (4.1.0-1) ...
Setting up python3-jaraco.context (6.0.1-1) ...
Setting up libcurl4t64:amd64 (8.13.0~rc2-2) ...
Setting up libkdb5-10t64:amd64 (1.21.3-5) ...
Setting up python3-lz4 (4.4.0+dfsg-1+b1) ...
Setting up python3.13-dev (3.13.2-2) ...
Setting up python3-unicodedata2 (15.1.0+ds-1+b4) ...
Setting up blt (2.5.3+dfsg-8) ...
Setting up python3-typeguard (4.4.2-1) ...
Setting up python3-tk:amd64 (3.13.2-1) ...
Setting up debhelper (13.24.1) ...
Setting up python3-pil:amd64 (11.1.0-5+b1) ...
Setting up python3-inflect (7.3.1-2) ...
Setting up python3-pil.imagetk:amd64 (11.1.0-5+b1) ...
Setting up python3-jaraco.text (4.0.0-1) ...
Setting up python3-dev (3.13.2-2) ...
Setting up librtmp-dev:amd64 (2.4+20151223.gitfa8646d.1-2+b5) ...
Setting up libhdf5-310:amd64 (1.14.5+repack-3) ...
Setting up libhsa-runtime64-1:amd64 (6.1.2-3) ...
Setting up libkadm5srv-mit12:amd64 (1.21.3-5) ...
Setting up guile-3.0-dev (3.0.10+really3.0.10-4) ...
update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode
update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode
Setting up libhdf5-fortran-310:amd64 (1.14.5+repack-3) ...
Setting up krb5-multidev:amd64 (1.21.3-5) ...
Setting up libhdf5-cpp-310:amd64 (1.14.5+repack-3) ...
Setting up python3-pkg-resources (75.8.0-1) ...
Setting up libhdf5-hl-310:amd64 (1.14.5+repack-3) ...
Setting up python3-setuptools (75.8.0-1) ...
Setting up python3-h5py-serial (3.13.0-1+b1) ...
Setting up libctl-dev:amd64 (4.5.1-3) ...
Setting up libkrb5-dev:amd64 (1.21.3-5) ...
Setting up libamdhip64-5 (5.7.1-5+b1) ...
Setting up libcurl4-openssl-dev:amd64 (8.13.0~rc2-2) ...
Setting up python3-h5py (3.13.0-1) ...
Setting up libhdf5-hl-cpp-310:amd64 (1.14.5+repack-3) ...
Setting up libhdf5-hl-fortran-310:amd64 (1.14.5+repack-3) ...
Setting up libucx0:amd64 (1.18.1+ds-2+b1) ...
Setting up libhdf5-dev (1.14.5+repack-3) ...
update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode
Setting up libopenmpi40:amd64 (5.0.7-1) ...
Setting up libhdf5-openmpi-310:amd64 (1.14.5+repack-3) ...
Setting up mpb (1.11.1-6+b2) ...
Setting up python3-fonttools (4.55.3-2+b1) ...
Setting up python3-ufolib2 (0.17.0+dfsg1-1) ...
Setting up python3-matplotlib (3.8.3-7+b1) ...
Processing triggers for libc-bin (2.41-6) ...
Reading package lists...
Building dependency tree...
Reading state information...
Reading extended state information...
Initializing package states...
Writing extended state information...
Building tag database...
-> Finished parsing the build-deps
I: Building the package
I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-2_source.changes
dpkg-buildpackage: info: source package meep
dpkg-buildpackage: info: source version 1.29.0-2
dpkg-buildpackage: info: source distribution unstable
dpkg-buildpackage: info: source changed by Thorsten Alteholz <debian@alteholz.de>
dpkg-source --before-build .
dpkg-buildpackage: info: host architecture amd64
debian/rules clean
dh clean --with autoreconf
debian/rules override_dh_clean
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
# we do not need this anymore
rm -f tests/latest_output
dh_clean
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
debian/rules binary
dh binary --with autoreconf
dh_update_autotools_config
dh_autoreconf
libtoolize: putting auxiliary files in '.'.
libtoolize: copying file './ltmain.sh'
libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'.
libtoolize: copying file 'm4/libtool.m4'
libtoolize: copying file 'm4/ltoptions.m4'
libtoolize: copying file 'm4/ltsugar.m4'
libtoolize: copying file 'm4/ltversion.m4'
libtoolize: copying file 'm4/lt~obsolete.m4'
configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete.
configure.ac:74: You should run autoupdate.
./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from...
m4/ax_mpi.m4:69: AX_MPI is expanded from...
configure.ac:74: the top level
configure.ac:64: installing './compile'
configure.ac:109: installing './config.guess'
configure.ac:109: installing './config.sub'
configure.ac:12: installing './install-sh'
configure.ac:12: installing './missing'
libpympb/Makefile.am: installing './depcomp'
python/Makefile.am:236: installing './py-compile'
parallel-tests: installing './test-driver'
debian/rules override_dh_auto_configure
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
# the latest patch is only needed on architectures without SSE or other special stuff
if [ "amd64" = "i386" ] || \
[ "amd64" = "hurd-i386" ] ; then \
echo "all patches needed, do nothing here"; \
else \
echo "we don't need the last patch"; \
quilt pop; \
fi
we don't need the last patch
Removing patch debian/patches/i386-fix.patch
Restoring src/mympi.cpp
Now at patch debian/patches/python-distutils.patch
F77=gfortran dh_auto_configure -- --host=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode
./configure --build=x86_64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/x86_64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=x86_64-linux-gnu --build=x86_64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode
checking for a BSD-compatible install... /usr/bin/install -c
checking whether sleep supports fractional seconds... yes
checking filesystem timestamp resolution... 0.01
checking whether build environment is sane... yes
checking for a race-free mkdir -p... /usr/bin/mkdir -p
checking for gawk... no
checking for mawk... mawk
checking whether make sets $(MAKE)... yes
checking whether make supports nested variables... yes
checking xargs -n works... yes
checking whether to enable maintainer-specific portions of Makefiles... yes
checking for x86_64-linux-gnu-gcc... x86_64-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 x86_64-linux-gnu-gcc accepts -g... yes
checking for x86_64-linux-gnu-gcc option to enable C11 features... none needed
checking whether x86_64-linux-gnu-gcc understands -c and -o together... yes
checking whether make supports the include directive... yes (GNU style)
checking dependency style of x86_64-linux-gnu-gcc... none
checking for x86_64-linux-gnu-g++... x86_64-linux-gnu-g++
checking whether the compiler supports GNU C++... yes
checking whether x86_64-linux-gnu-g++ accepts -g... yes
checking for x86_64-linux-gnu-g++ option to enable C++11 features... none needed
checking dependency style of x86_64-linux-gnu-g++... none
checking whether x86_64-linux-gnu-g++ supports C++11 features by default... yes
checking build system type... x86_64-pc-linux-gnu
checking host system type... x86_64-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 x86_64-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/x86_64-linux-gnu-nm -B
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configure: creating ./config.status
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make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
dh_auto_build
make -j20
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
make all-recursive
make[2]: Entering directory '/build/reproducible-path/meep-1.29.0'
Making all in src
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
make sphere_quad
(echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o sphere-quad.o sphere-quad.cpp
/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
(echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h
make all-recursive
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
Making all in support
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support'
/bin/bash ../../libtool --tag=CC --mode=compile x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c -o mt19937ar.lo mt19937ar.c
libtool: compile: x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o
libtool: compile: x86_64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1
/bin/bash ../../libtool --tag=CC --mode=link x86_64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o
libtool: link: x86_64-linux-gnu-ranlib .libs/libsupport.a
libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" )
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support'
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o array_slice.lo array_slice.cpp
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/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o boundaries.lo boundaries.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bicgstab.lo bicgstab.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o casimir.lo casimir.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o cw_fields.lo cw_fields.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o dft.lo dft.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o dft_ldos.lo dft_ldos.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o energy_and_flux.lo energy_and_flux.cpp
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/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o fields_dump.lo fields_dump.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o fix_boundary_sources.lo fix_boundary_sources.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o loop_in_chunks.lo loop_in_chunks.cpp
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libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c initialize.cpp -fPIC -DPIC -o .libs/initialize.o
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dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) {
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In file included from fields.cpp:25:
meep.hpp: In constructor 'meep::fields::fields(meep::structure*, double, double, bool, int, int, std::vector<double>)':
meep.hpp:2255:16: warning: 'meep::fields::working_on' will be initialized after [-Wreorder]
2255 | timing_scope working_on;
| ^~~~~~~~~~
meep.hpp:1744:23: warning: 'std::vector<double> meep::fields::bfast_scaled_k' [-Wreorder]
1744 | std::vector<double> bfast_scaled_k;
| ^~~~~~~~~~~~~~
fields.cpp:32:1: warning: when initialized here [-Wreorder]
32 | fields::fields(structure *s, double m, double beta, bool zero_fields_near_cylorigin,
| ^~~~~~
meep.hpp: In constructor 'meep::fields_chunk::fields_chunk(meep::structure_chunk*, const char*, double, double, bool, int, int, std::vector<double>)':
meep.hpp:1506:10: warning: 'meep::fields_chunk::beta' will be initialized after [-Wreorder]
1506 | double beta;
| ^~~~
meep.hpp:1505:23: warning: 'std::vector<double> meep::fields_chunk::bfast_scaled_k' [-Wreorder]
1505 | std::vector<double> bfast_scaled_k;
| ^~~~~~~~~~~~~~
fields.cpp:242:1: warning: when initialized here [-Wreorder]
242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta,
| ^~~~~~~~~~~~
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boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const':
boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=]
120 | switch (d) {
| ^~~~~~
boundaries.cpp:128:5: note: here
128 | case D3:
| ^~~~
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libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o near2far.lo near2far.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c fields.cpp -fPIC -DPIC -o fields.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o output_directory.lo output_directory.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o random.lo random.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o sources.lo sources.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c array_slice.cpp -fPIC -DPIC -o array_slice.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step.lo step.cpp
monitor.cpp: In member function 'std::complex<double> 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: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o anisotropic_averaging.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_db.lo step_db.cpp
step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
144 | CHUNK_OPENMP
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o stress.lo stress.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o structure.lo structure.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o structure_dump.lo structure_dump.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o susceptibility.lo susceptibility.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1
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/x86_64-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/x86_64-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/x86_64-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: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o
susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
228 | PLOOP_OVER_VOL_OWNED(gv, c, i) {
susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
242 | PLOOP_OVER_VOL_OWNED(gv, c, i) {
susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
252 | PLOOP_OVER_VOL_OWNED(gv, c, i) {
mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)':
mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable]
408 | int in[5], out[5];
| ^~
In file included from sources.cpp:27:
meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector<long int>&&, std::vector<std::complex<double> >&&, bool)':
meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder]
81 | std::vector<std::complex<double> > amp; // amplitudes
| ^~~
meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder]
77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling
| ^~~~~~~~~~~~~~~~~~
sources.cpp:168:1: warning: when initialized here [-Wreorder]
168 | src_vol::src_vol(component cc, src_time *st, std::vector<ptrdiff_t> &&ind,
| ^~~~~~~
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1
mympi.cpp: In function 'void meep::abort(const char*, ...)':
mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result]
248 | vasprintf(&s, fmt, ap);
| ~~~~~~~~~^~~~~~~~~~~~~
mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, __va_list_tag*)':
mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __va_list_tag*)' declared with attribute 'warn_unused_result' [-Wunused-result]
692 | vasprintf(&s, fmt, ap);
| ~~~~~~~~~^~~~~~~~~~~~~
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o time.lo time.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1
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libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c dft.cpp -fPIC -DPIC -o dft.o >/dev/null 2>&1
step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)':
step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable]
189 | const int dk = gv.iyee_shift(cc).in_direction(dsig);
| ^~
step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable]
192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu);
| ^~~
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c boundaries.cpp -fPIC -DPIC -o boundaries.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o mpb.lo mpb.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o update_pols.lo update_pols.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o vec.lo vec.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o
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/x86_64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20
68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
| ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
69 | __glibc_objsize (__s), __fmt,
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
70 | __va_arg_pack ());
| ~~~~~~~~~~~~~~~~~
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_generic.lo step_generic.cpp
structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)':
structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=]
748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
| ^~
structure_dump.cpp:748:31: note: directive argument in the range [0, 19]
748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
| ^~~~~~~~~~~~~~~~~~~
structure_dump.cpp:748:31: note: directive argument in the range [0, 4]
In function 'int snprintf(char*, size_t, const char*, ...)',
inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19:
/usr/include/x86_64-linux-gnu/bits/stdio2.h: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: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o
step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
90 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
96 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
103 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); }
step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
117 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
127 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
137 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
145 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
161 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
171 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
181 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
188 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
201 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
215 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
228 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
238 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
266 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
278 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
289 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
297 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
308 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
316 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; }
step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; }
step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
351 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
358 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
367 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
374 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
386 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
396 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
408 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
418 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
436 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
446 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
458 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
466 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
480 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
494 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
509 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
520 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
591 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
606 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
618 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
630 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
646 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
659 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
672 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
683 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
693 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
705 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
716 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
725 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
734 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
747 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
757 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
767 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
775 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; }
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meepgeom.lo meepgeom.cpp
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp
meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas]
2959 | #pragma unroll
step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)':
step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable]
434 | realnum dt2 = dt * 0.5;
| ^~~
step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter]
337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig,
| ~~~~~~~~^~~~
step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter]
338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu,
| ~~~~~~~~~~^~~
step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter]
338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu,
| ~~~~~~~~~~^~~
step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter]
339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
| ~~~~~~~~~~^~~~
step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter]
339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
| ~~~~~~~~~~^~~~
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o
step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:98: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:105: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
105 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:105: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:110: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
110 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); }
step_generic_stride1.cpp:110: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:119: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
119 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:119: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:129: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
129 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:129: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:139: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
139 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:139: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:147: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
147 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:147: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:163: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
163 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:163: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:173: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
173 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:173: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:183: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
183 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:183: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:190: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
190 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:190: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:203: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
203 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:203: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:217: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
217 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:217: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:230: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
230 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:230: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:240: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
240 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:240: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:268: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
268 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:268: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:280: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
280 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:280: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:291: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
291 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:291: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:299: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
299 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:299: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:310: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
310 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:310: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:318: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
318 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:318: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:328: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
328 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; }
step_generic_stride1.cpp:328: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:331: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
331 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; }
step_generic_stride1.cpp:331: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:353: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
353 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:353: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:360: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
360 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:360: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:388: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
388 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:388: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:398: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
398 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:398: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:410: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
410 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:410: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:420: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
420 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:420: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:438: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
438 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:438: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:448: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
448 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:448: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
460 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:460: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:468: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
468 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:468: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:482: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
482 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:482: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:511: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
511 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:511: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:522: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
522 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:522: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:593: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
593 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:593: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:608: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
608 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:608: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:620: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
620 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:620: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:632: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
632 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:632: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:648: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
648 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:648: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:661: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
661 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:661: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:674: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
674 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:674: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:685: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
685 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:685: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:695: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
695 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:695: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:707: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
707 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:707: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:718: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
718 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:718: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:727: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
727 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:727: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:736: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
736 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:736: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:749: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
749 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:749: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:759: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
759 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:759: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:769: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
769 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:769: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:777: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
777 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
step_generic_stride1.cpp:777: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; }
step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1
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<double> meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex<double>, double, geom_epsilon*, meep::grid_volume&, double, double*, int)':
meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable]
2685 | std::complex<double> 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<meep::dft_fields*>, std::vector<meep::dft_fields*>, double*, double, meep::grid_volume&, geom_epsilon*, double)':
meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
2838 | for (int i = 0; i < ng * nf; i++) {
| ~~^~~~~~~~~
meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=]
2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf,
| ~^ ~~
| | |
| int size_t {aka long unsigned int}
| %ld
meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wformat=]
2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf,
| ~^
| |
| int
| %ld
2855 | current_adjoint_chunk->omega.size());
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
| |
| std::vector<double>::size_type {aka long unsigned int}
meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=]
2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf,
| ~^ ~~
| | |
| int size_t {aka long unsigned int}
| %ld
meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector<double>::size_type' {aka 'long unsigned int'} [-Wformat=]
2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf,
| ~^
| |
| int
| %ld
2862 | current_forward_chunk->omega.size());
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
| |
| std::vector<double>::size_type {aka long unsigned int}
meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue;
| ~~~~~~~~~~^~~~~~~~~~~~~~~
meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0))
| ~~~~~~~~~^~~~~~~~~~~~~~~
meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare]
2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0))
| ~~~~~~~~~^~~~~~~~~~~~~~~
meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<meep::dft_chunk*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) {
| ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)':
step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable]
436 | realnum dt2 = dt * 0.5;
| ^~~
step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter]
339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig,
| ~~~~~~~~^~~~
step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter]
340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu,
| ~~~~~~~~~~^~~
step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter]
340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu,
| ~~~~~~~~~~^~~
step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter]
341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
| ~~~~~~~~~~^~~~
step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter]
341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
| ~~~~~~~~~~^~~~
meepgeom.cpp: In function 'std::complex<double> meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)':
meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type]
2617 | }
| ^
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1
meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex<double>, std::complex<double>, double, meep::grid_volume&, double)':
meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized]
2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval,
| ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol);
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meepgeom.cpp:2760:7: note: 'kind' was declared here
2760 | int kind;
| ^~~~
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/x86_64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0
libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33")
libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so")
libtool: link: (cd .libs/libmeep.lax/libsupport.a && x86_64-linux-gnu-ar x "/build/reproducible-path/meep-1.29.0/src/support/.libs/libsupport.a")
libtool: link: x86_64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o
libtool: link: x86_64-linux-gnu-ranlib .libs/libmeep.a
libtool: link: rm -fr .libs/libmeep.lax
libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" )
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
Making all in tests
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
make[3]: Nothing to be done for 'all'.
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
Making all in scheme
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl
gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl
(echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i
(echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i
(echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i
(perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm
;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0
;;; or pass the --no-auto-compile argument to disable.
;;; compiling /usr/share/libctl/base/include.scm
;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go
swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i
;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0
;;; or pass the --no-auto-compile argument to disable.
;;; compiling /usr/share/libctl/base/include.scm
;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go
cp -f /usr/share/libctl/base/main.c main.cpp
cp -f /usr/share/libctl/utils/geom.c geom.cpp
gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl
patch -p0 meep_wrap.cxx < ./meep_wrap.patch
patching file meep_wrap.cxx
Hunk #1 succeeded at 817 (offset 66 lines).
sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx;
make all-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp
x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp
x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx
x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp
x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp
x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp
geom.cpp:22:9: warning: "_GNU_SOURCE" redefined
22 | #define _GNU_SOURCE
| ^~~~~~~~~~~
<command-line>: note: this is the location of the previous definition
In file included from ctl-io.h:7,
from main.cpp:37:
main.cpp: In function 'void main_entry(void*, int, char**)':
main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~
main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from ctl-io.h:7,
from ctl-io.cpp:7:
ctl-io.cpp: In function 'void ctlio::export_external_functions()':
ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type]
2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)':
geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable]
2357 | vector3 axisp = vector3_scale(height, zhatp);
| ^~~~~
meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)':
meep_wrap.cxx:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36080 | arg1 = (meep::component const) scm_to_int(argv[0]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx:36083:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36083 | arg2 = (meep::component const) scm_to_int(argv[1]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)':
meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36145 | arg1 = (meep::component const) scm_to_int(argv[0]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx:36148:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36148 | arg2 = (meep::component const) scm_to_int(argv[1]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)':
meep_wrap.cxx:36209:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36209 | arg1 = (meep::component const) scm_to_int(argv[0]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36212 | arg2 = (meep::component const) scm_to_int(argv[1]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)',
inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40:
structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized]
581 | mat2 = mat1;
| ~~~~~^~~~~~
structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)':
structure.cpp:509:17: note: 'mat1' declared here
509 | material_type mat1, mat2;
| ^~~~
/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
Making all in libpympb
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o
pympb.cpp:46:1: warning: multi-line comment [-Wcomment]
46 | // #define LOOP_XYZ(md) \
| ^
pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()':
pympb.cpp:72:16: warning: comparison between two arrays [-Warray-compare]
72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \
| ~~~~~^~~~~~~
pympb.cpp:87:9: note: in definition of macro 'CHECK'
87 | if (!(cond)) { meep::abort(s "\n"); }
| ^~~~
pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce'
2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm);
| ^~~~~~~~~~~~~
pympb.cpp:72:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses
72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \
| ~~~~~^~~~~~~
pympb.cpp:87:9: note: in definition of macro 'CHECK'
87 | if (!(cond)) { meep::abort(s "\n"); }
| ^~~~
pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce'
2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm);
| ^~~~~~~~~~~~~
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1
/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0
libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33")
libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so")
libtool: link: x86_64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o
libtool: link: x86_64-linux-gnu-ranlib .libs/libpympb.a
libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" )
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb'
Making all in python
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i
swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i
../src/meep.hpp:1644: Warning 362: operator= ignored
../src/meep.hpp:1644: Warning 362: operator= ignored
cp meep.py __init__.py
echo "__version__ = '1.29.0'" >> __init__.py
if [[ "4.3.0" = 3.0.12 ]]; then \
sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \
sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \
fi
if [[ "4.3.0" == 3.0.12 ]]; then \
sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \
sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \
fi
make all-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
/bin/bash ../libtool --tag=CXX --mode=compile x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o
meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector<meep_geom::dft_data>, std::vector<meep::volume>, std::vector<meep::volume>, std::vector<meep::volume>, std::vector<meep::volume>, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)':
meep-python.cxx:7529:62: warning: unused parameter 'alist' [-Wunused-parameter]
7529 | meep_geom::absorber_list alist,
| ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
meep-python.cxx:7530:67: warning: unused parameter 'extra_materials' [-Wunused-parameter]
7530 | meep_geom::material_type_list extra_materials,
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
meep-python.cxx:7532:42: warning: unused parameter 'set_materials' [-Wunused-parameter]
7532 | bool set_materials,
| ~~~~~^~~~~~~~~~~~~
meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)':
meep-python.cxx:7576:29: warning: unused parameter 'cell_size' [-Wunused-parameter]
7576 | vector3 cell_size,
| ~~~~~~~~^~~~~~~~~
meep-python.cxx:7577:40: warning: unused parameter 'gv' [-Wunused-parameter]
7577 | meep::grid_volume &gv,
| ~~~~~~~~~~~~~~~~~~~^~
meep-python.cxx:7590:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter]
7590 | bool output_chunk_costs,
| ~~~~~^~~~~~~~~~~~~~~~~~
meep-python.cxx:7591:51: warning: unused parameter 'my_bp' [-Wunused-parameter]
7591 | const meep::binary_partition *my_bp) {
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
In file included from mpb-python.cxx:3409:
typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function]
115 | static PyObject *py_volume_object() {
| ^~~~~~~~~~~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)':
meep-python.cxx:25557:87: warning: unused parameter 'varargs' [-Wunused-parameter]
25557 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)':
meep-python.cxx:25590:44: warning: unused parameter 'self' [-Wunused-parameter]
25590 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)':
meep-python.cxx:126130:95: warning: unused parameter 'varargs' [-Wunused-parameter]
126130 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)':
meep-python.cxx:126163:52: warning: unused parameter 'self' [-Wunused-parameter]
126163 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)':
meep-python.cxx:126177:102: warning: unused parameter 'varargs' [-Wunused-parameter]
126177 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)':
meep-python.cxx:126210:59: warning: unused parameter 'self' [-Wunused-parameter]
126210 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)':
meep-python.cxx:126224:94: warning: unused parameter 'varargs' [-Wunused-parameter]
126224 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)':
meep-python.cxx:126257:51: warning: unused parameter 'self' [-Wunused-parameter]
126257 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)':
meep-python.cxx:126271:96: warning: unused parameter 'varargs' [-Wunused-parameter]
126271 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) {
| ~~~~~~~~~~^~~~~~~
meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)':
meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter]
126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
In file included from meep-python.cxx:4104:
typemap_utils.cpp: At global scope:
typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function]
115 | static PyObject *py_volume_object() {
| ^~~~~~~~~~~~~~~~
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -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 x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
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libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" )
libtool: compile: x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1
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mkdir -p meep/adjoint
cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep
cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint
mkdir -p meep/mpb
cp .libs/_mpb.so meep/mpb
cp ./mpb.py meep/mpb/__init__.py
cp ./solver.py ./mpb_data.py meep/mpb
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cp -f ./meep-pkgconfig meep.pc
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debian/rules override_dh_auto_test
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echo amd64
amd64
if [ "amd64" = "armel" ] || \
[ "amd64" = "riscv64" ] || \
[ "amd64" = "hurd-i386" ] ; then \
echo "Do not make tests on this architecture" ;\
else \
echo "Do make tests on this architecture" ;\
make check; \
find; \
cat python/test-suite.log; \
fi
Do make tests on this architecture
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make check-recursive
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make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o aniso_disp.o aniso_disp.cpp
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x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bench.o bench.cpp
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x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o bragg_transmission.o bragg_transmission.cpp
/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/bragg_transmission bragg_transmission.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o convergence_cyl_waveguide.o convergence_cyl_waveguide.cpp
/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
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x86_64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -c -o array-metadata.o array-metadata.cpp
/bin/bash ../libtool --tag=CXX --mode=link x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
libtool: link: x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o .libs/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/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
make check-TESTS
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
PASS: aniso_disp
PASS: bench
PASS: bragg_transmission
PASS: convergence_cyl_waveguide
PASS: cylindrical
PASS: dump_load
PASS: flux
PASS: harmonics
PASS: integrate
PASS: known_results
PASS: near2far
PASS: one_dimensional
PASS: physical
PASS: stress_tensor
PASS: symmetry
PASS: three_d
PASS: two_dimensional
PASS: 2D_convergence
PASS: h5test
PASS: pml
PASS: cyl-ellipsoid-ll
PASS: array-slice-ll
PASS: ring-ll
============================================================================
Testsuite summary for meep 1.29.0
============================================================================
# TOTAL: 23
# PASS: 23
# SKIP: 0
# XFAIL: 0
# FAIL: 0
# XPASS: 0
# ERROR: 0
============================================================================
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
Making check in scheme
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
make check-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
make[4]: Nothing to be done for 'check-am'.
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
Making check in libpympb
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
make[3]: Nothing to be done for 'check'.
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb'
Making check in python
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
make check-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
make check-TESTS
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
PASS: tests/test_3rd_harm_1d.py
PASS: tests/test_absorber_1d.py
FAIL: tests/test_adjoint_solver.py
FAIL: tests/test_adjoint_utils.py
FAIL: tests/test_adjoint_cyl.py
FAIL: tests/test_adjoint_jax.py
PASS: tests/test_antenna_radiation.py
PASS: tests/test_array_metadata.py
PASS: tests/test_bend_flux.py
FAIL: tests/test_binary_partition_utils.py
FAIL: tests/test_binary_grating.py
PASS: tests/test_cavity_arrayslice.py
PASS: tests/test_cavity_farfield.py
FAIL: tests/test_chunk_balancer.py
PASS: tests/test_chunk_layout.py
PASS: tests/test_chunks.py
PASS: tests/test_conductivity.py
PASS: tests/test_cyl_ellipsoid.py
PASS: tests/test_dft_energy.py
PASS: tests/test_dft_fields.py
PASS: tests/test_diffracted_planewave.py
PASS: tests/test_dispersive_eigenmode.py
PASS: tests/test_divide_mpi_processes.py
PASS: tests/test_dump_load.py
PASS: tests/test_eigfreq.py
PASS: tests/test_faraday_rotation.py
PASS: tests/test_field_functions.py
PASS: tests/test_force.py
PASS: tests/test_fragment_stats.py
PASS: tests/test_gaussianbeam.py
PASS: tests/test_geom.py
PASS: tests/test_get_point.py
FAIL: tests/test_get_epsilon_grid.py
PASS: tests/test_holey_wvg_bands.py
PASS: tests/test_holey_wvg_cavity.py
PASS: tests/test_integrated_source.py
PASS: tests/test_kdom.py
PASS: tests/test_ldos.py
PASS: tests/test_material_dispersion.py
FAIL: tests/test_material_grid.py
PASS: tests/test_materials_library.py
PASS: tests/test_medium_evaluations.py
FAIL: tests/test_mpb.py
PASS: tests/test_mode_coeffs.py
FAIL: tests/test_mode_decomposition.py
PASS: tests/test_multilevel_atom.py
PASS: tests/test_n2f_periodic.py
PASS: tests/test_oblique_source.py
FAIL: tests/test_pml_cyl.py
PASS: tests/test_physical.py
PASS: tests/test_prism.py
PASS: tests/test_pw_source.py
FAIL: tests/test_refl_angular.py
PASS: tests/test_ring.py
PASS: tests/test_ring_cyl.py
PASS: tests/test_simulation.py
FAIL: tests/test_special_kz.py
PASS: tests/test_source.py
PASS: tests/test_timing_measurements.py
PASS: tests/test_user_defined_material.py
PASS: tests/test_verbosity_mgr.py
PASS: tests/test_visualization.py
PASS: tests/test_wvg_src.py
============================================================================
Testsuite summary for meep 1.29.0
============================================================================
# TOTAL: 63
# PASS: 49
# SKIP: 0
# XFAIL: 0
# FAIL: 14
# XPASS: 0
# ERROR: 0
============================================================================
See python/test-suite.log for debugging.
============================================================================
make[6]: *** [Makefile:1119: test-suite.log] Error 1
make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[5]: *** [Makefile:1254: check-TESTS] Error 2
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[4]: *** [Makefile:1318: check-am] Error 2
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[3]: *** [Makefile:1320: check] Error 2
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[2]: *** [Makefile:523: check-recursive] Error 1
make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0'
.
./configure.ac
./.github
./.github/workflows
./.github/workflows/pre-commit.yml
./.github/workflows/build-ci.yml
./.github/workflows/build-san.yml
./.github/dependabot.yml
./.clang-format
./.gitignore
./LICENSE
./version.sh
./add_type_hints.xonsh
./config.sub
./codemeta.json
./AUTHORS
./config.h
./missing
./meep-pkgconfig
./doc
./doc/generate_py_api.py
./doc/meep-logos.svg
./doc/docs
./doc/docs/2d_Cell_Special_kz.md
./doc/docs/C++_Developer_Information.md
./doc/docs/Introduction.md
./doc/docs/Scheme_User_Interface.md
./doc/docs/The_Run_Function_Is_Not_A_Loop.md
./doc/docs/Parallel_Meep.md
./doc/docs/Eigensolver_Math.md
./doc/docs/Chunks_and_Symmetry.md
./doc/docs/index.md
./doc/docs/Build_From_Source.md
./doc/docs/Python_Tutorials
./doc/docs/Python_Tutorials/Multilevel_Atomic_Susceptibility.md
./doc/docs/Python_Tutorials/Gyrotropic_Media.md
./doc/docs/Python_Tutorials/Frequency_Domain_Solver.md
./doc/docs/Python_Tutorials/Third_Harmonic_Generation.md
./doc/docs/Python_Tutorials/GDSII_Import.md
./doc/docs/Python_Tutorials/Resonant_Modes_and_Transmission_in_a_Waveguide_Cavity.md
./doc/docs/Python_Tutorials/Mode_Decomposition.md
./doc/docs/Python_Tutorials/Adjoint_Solver.md
./doc/docs/Python_Tutorials/Cylindrical_Coordinates.md
./doc/docs/Python_Tutorials/Eigenmode_Source.md
./doc/docs/Python_Tutorials/Basics.md
./doc/docs/Python_Tutorials/Custom_Source.md
./doc/docs/Python_Tutorials/Material_Dispersion.md
./doc/docs/Python_Tutorials/Optical_Forces.md
./doc/docs/Python_Tutorials/Near_to_Far_Field_Spectra.md
./doc/docs/Python_Tutorials/Local_Density_of_States.md
./doc/docs/images
./doc/docs/images/Chunks_NP1.png
./doc/docs/images/Tut-holey-cavity.png
./doc/docs/images/Faraday-rotation.png
./doc/docs/images/Tut-ring-ez-0.175.gif
./doc/docs/images/grating_0th_order_tran.png
./doc/docs/images/subpixel_smoothing.png
./doc/docs/images/dipole_extraction_eff_cyl.png
./doc/docs/images/Faraday-rotation-comparison.png
./doc/docs/images/Holey-wvg-cavity-hz-001401.23.png
./doc/docs/images/oblique_source_singlemode.png
./doc/docs/images/Example.jpg
./doc/docs/images/chunk_balancer_timing_stats.gif
./doc/docs/images/cyl_nonaxisymmetric_source_flux_vs_m.png
./doc/docs/images/mie_scattering_schematic.png
./doc/docs/images/Yee-te.png
./doc/docs/images/Tutorial-wvg-bent-eps-000000.00.png
./doc/docs/images/phase-in-material.png
./doc/docs/images/finite_grating_nperiods20.png
./doc/docs/images/Holey-wvg-kx=0.4-w=0.3175.gif
./doc/docs/images/oblique_source_multimode.png
./doc/docs/images/Yee_grid_cylindrical.png
./doc/docs/images/Tut-bend-flux.png
./doc/docs/images/Tutorial-wvg-bent2-ez-000300.00.png
./doc/docs/images/triangular_lattice.png
./doc/docs/images/Holey-wvg-kx=0.25-w=0.2506.gif
./doc/docs/images/coupler_refl_S11_S12.png
./doc/docs/images/grating.png
./doc/docs/images/3rd-harm-1d-vs-chi.png
./doc/docs/images/waveguide_rotation_glancing_small.png
./doc/docs/images/Ring-cyl-ez-0.118.png
./doc/docs/images/parallel_benchmark_barplot.png
./doc/docs/images/output_epsilon_kpoint.png
./doc/docs/images/Fabryperot.gif
./doc/docs/images/cyl_nonaxisymmetric_source_layout.png
./doc/docs/images/CWsolver-scheme.png
./doc/docs/images/mode_converter_worst_case_refl_tran.png
./doc/docs/images/eigenmode_source.png
./doc/docs/images/Material-dispersion-eps.png
./doc/docs/images/SiO2_materials_library.png
./doc/docs/images/ring_resonator_gds_Hz.png
./doc/docs/images/CWsolver-python.png
./doc/docs/images/stochastic_emitter_normalized_flux_comparison.png
./doc/docs/images/cherenkov_radiation.png
./doc/docs/images/pml_glancing_field.png
./doc/docs/images/Meep-banner.png
./doc/docs/images/ring_freq_vs_resolution.png
./doc/docs/images/Ring-cyl-ez-0.176.png
./doc/docs/images/metasurface_lens_phasemap.png
./doc/docs/images/Near2far_simulation_geometry.png
./doc/docs/images/zone_plate_farfield.png
./doc/docs/images/Maxwell_equations_cylindrical.png
./doc/docs/images/extraction_eff_vs_dipole_height.png
./doc/docs/images/Chunks_YSymmetry.png
./doc/docs/images/refl_coeff_vs_taper_length.png
./doc/docs/images/gaussian_beam.png
./doc/docs/images/single_mode_eigsource_pulse.png
./doc/docs/images/power_density_map.png
./doc/docs/images/parallel_benchmark_runtime_vs_nprocs.png
./doc/docs/images/zone_plate_schematic.png
./doc/docs/images/chunk_division_binary_tree.png
./doc/docs/images/directional_coupler_field_profiles.png
./doc/docs/images/Material-dispersion-bands.png
./doc/docs/images/Python-Tutorial-wvg-straight-ez-000200.00.png
./doc/docs/images/Tutorial-wvg-straight-ez-000200.00.png
./doc/docs/images/Tutorial-wvg-straight-eps-000000.00.png
./doc/docs/images/grating_diffraction_spectra.png
./doc/docs/images/Holey-wvg-cavity-hz-slice.png
./doc/docs/images/metasurface_lens_epsilon.png
./doc/docs/images/parallel_benchmark_timestep.png
./doc/docs/images/meep_salt_comparison_thresh.png
./doc/docs/images/ChunkStatistics.png
./doc/docs/images/sphere_epsilon.png
./doc/docs/images/stochastic_emitter_forward_vs_backward_flux_spectrum.png
./doc/docs/images/disc_radiation_pattern_polar_vs_3d.png
./doc/docs/images/mode_converter_objfunc_hist.png
./doc/docs/images/farfields_vs_DFTfields_holeycavity_mismatch.png
./doc/docs/images/Spheres-plane.jpg
./doc/docs/images/Chunks_XYSymmetry.png
./doc/docs/images/Holey-wvg-cavity-eps-000000.00.png
./doc/docs/images/cwsrc_turnon.png
./doc/docs/images/cylinder_cross_section.png
./doc/docs/images/disc_radiation_layout.png
./doc/docs/images/waveguide_rotation_glancing.png
./doc/docs/images/refl_coeff_flat_interface.png
./doc/docs/images/Yee-cube.png
./doc/docs/images/N2ff_comp_cell.png
./doc/docs/images/Source_radiation_pattern.png
./doc/docs/images/material_grid.png
./doc/docs/images/Point-dct.jpg
./doc/docs/images/LED_layout.png
./doc/docs/images/grating_phasemap.png
./doc/docs/images/ring_matfunc_freq_vs_resolution.png
./doc/docs/images/multilevel_meep_n0_37_spectra.png
./doc/docs/images/klayout_schematic.png
./doc/docs/images/stochastic_emitter_trials.png
./doc/docs/images/C2_symmetry.png
./doc/docs/images/ChunkingAndSymmetry.svg
./doc/docs/images/Chunks_NP8.png
./doc/docs/images/chunk_balancer_variance.jpg
./doc/docs/images/disc_dipoles_radiation_pattern.png
./doc/docs/images/multi_mode_eigsource_pulse_A.png
./doc/docs/images/Tutorial-wvg-ez.gif
./doc/docs/images/power_density_cell.png
./doc/docs/images/Metalcavity_ldos.png
./doc/docs/images/meep_salt_comparison_full.png
./doc/docs/images/polarization_grating_schematic.png
./doc/docs/images/Holey-wvg-bands-eps-000000.00.png
./doc/docs/images/LED_layout_reciprocity.png
./doc/docs/images/swig_process.png
./doc/docs/images/planar_cavity_purcell_enhancement.png
./doc/docs/images/grating_diffraction_spectra_n2f.png
./doc/docs/images/Vac.jpg
./doc/docs/images/eigenmode_planewave.png
./doc/docs/images/mode_converter_designs.png
./doc/docs/images/adaptive_chunk_layout.gif
./doc/docs/images/Holey-wvg-bands.png
./doc/docs/images/prism_epsilon.png
./doc/docs/images/Dblocks-force.jpg
./doc/docs/images/pwsource_Ez_PML.png
./doc/docs/images/pypackage_creation.png
./doc/docs/images/Holey-wvg-kx=0.4-w=0.1896.gif
./doc/docs/images/Dblocks-config.jpg
./doc/docs/images/ring_subpixel_smoothing_rate.png
./doc/docs/images/ring_vary_radius.png
./doc/docs/images/Tutorial-wvg-bent-ez-tslice.png
./doc/docs/images/BentFluxFieldsVisualization.png
./doc/docs/images/PermittivityWithLabeledAxes.png
./doc/docs/images/fused_quartz_reflectance_spectrum.png
./doc/docs/images/Repulsive.jpg
./doc/docs/images/residue_fields_bound_charges.png
./doc/docs/images/PML_failure.png
./doc/docs/images/Holey-wvg-cavity-hz.gif
./doc/docs/images/Material-dispersion-epsim.png
./doc/docs/images/Surface-force.jpg
./doc/docs/images/reflectance_angular_spectrum.png
./doc/docs/images/parallel_benchmark_DFT.png
./doc/docs/images/Tut-ring-ez-0.147.gif
./doc/docs/images/Holey-wvg-kx=0.10-w=0.4811.gif
./doc/docs/images/multi_mode_eigsource_pulse_B.png
./doc/docs/images/BentFluxGeometryVisualization.png
./doc/docs/images/pwsource_Ey_PML.png
./doc/docs/images/chirped_pulse.png
./doc/docs/images/metasurface_lens_farfield.png
./doc/docs/images/3rd-harm-1d-flux.png
./doc/docs/images/farfields_vs_DFTfields_holeycavity.png
./doc/docs/images/parallel_wvgs_s0.1.png
./doc/docs/images/mode_converter_refl_tran_spectra.png
./doc/docs/images/coupler3D.png
./doc/docs/images/finite_grating_schematic.png
./doc/docs/images/mode_converter_sim_layout.png
./doc/docs/images/line_source_DCT_ampfunc_convergence.png
./doc/docs/images/mie_scattering.png
./doc/docs/images/Extruded-blocks.jpg
./doc/docs/images/stochastic_emitter_line_normalized_flux_comparison.png
./doc/docs/images/Python-Tutorial-wvg-bent-ez-tslice.png
./doc/docs/images/finite_grating_nperiods5.png
./doc/docs/images/Field-visualization.jpg
./doc/docs/images/Holey-wvg-kx=0.30-w=0.8838.gif
./doc/docs/images/Holey-wvg-cavity-Q.png
./doc/docs/images/parallel_benchmark_commcomp_vs_nprocs.png
./doc/docs/images/polarization_grating_diffraction_spectra.png
./doc/docs/images/directional_coupler_flux.png
./doc/docs/images/Material-dispersion-epsre.png
./doc/docs/images/Tut-ring-ez-0.118.gif
./doc/docs/images/waveguide-taper.png
./doc/docs/images/Meep-logo.png
./doc/docs/images/antenna_pec_ground_plane.png
./doc/docs/images/polarization_grating_diffraction_orders.png
./doc/docs/images/Holey-cavity-trans.png
./doc/docs/images/Waveguide_forces.png
./doc/docs/images/Ring-cyl-ez-0.148.png
./doc/docs/images/Python-Tutorial-wvg-straight-eps-000000.00.png
./doc/docs/images/dipole_extraction_eff_3D.png
./doc/docs/Python_User_Interface.md.in
./doc/docs/FAQ.md
./doc/docs/Acknowledgements.md
./doc/docs/Installation.md
./doc/docs/Units_and_Nonlinearity.md
./doc/docs/Synchronizing_the_Magnetic_and_Electric_Fields.md
./doc/docs/Perfectly_Matched_Layer.md
./doc/docs/Mode_Decomposition.md
./doc/docs/mathjaxhelper.js
./doc/docs/Download.md
./doc/docs/Developer_Codes
./doc/docs/Developer_Codes/WriteChunkInfo.cpp
./doc/docs/Developer_Codes/Makefile.manual
./doc/docs/setup.py
./doc/docs/Field_Functions.md
./doc/docs/Python_User_Interface.md
./doc/docs/Yee_Lattice.md
./doc/docs/mdx_math.py
./doc/docs/Python_Developer_Information.md
./doc/docs/Scheme_Tutorials
./doc/docs/Scheme_Tutorials/Multilevel_Atomic_Susceptibility.md
./doc/docs/Scheme_Tutorials/Gyrotropic_Media.md
./doc/docs/Scheme_Tutorials/Frequency_Domain_Solver.md
./doc/docs/Scheme_Tutorials/Third_Harmonic_Generation.md
./doc/docs/Scheme_Tutorials/Resonant_Modes_and_Transmission_in_a_Waveguide_Cavity.md
./doc/docs/Scheme_Tutorials/Mode_Decomposition.md
./doc/docs/Scheme_Tutorials/Cylindrical_Coordinates.md
./doc/docs/Scheme_Tutorials/Eigenmode_Source.md
./doc/docs/Scheme_Tutorials/Basics.md
./doc/docs/Scheme_Tutorials/Custom_Source.md
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========================================
meep 1.29.0: python/test-suite.log
========================================
# TOTAL: 63
# PASS: 49
# SKIP: 0
# XFAIL: 0
# FAIL: 14
# XPASS: 0
# ERROR: 0
System information (uname -a): Linux 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64
Distribution information (/etc/os-release):
PRETTY_NAME="Debian GNU/Linux trixie/sid"
NAME="Debian GNU/Linux"
VERSION_CODENAME=trixie
ID=debian
HOME_URL="https://www.debian.org/"
SUPPORT_URL="https://www.debian.org/support"
BUG_REPORT_URL="https://bugs.debian.org/"
.. contents:: :depth: 2
FAIL: tests/test_adjoint_solver
===============================
Matplotlib created a temporary cache directory at /tmp/matplotlib-7_vayu3n because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 6, in <module>
import adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.5185 s
FAIL tests/test_adjoint_solver.py (exit status: 1)
FAIL: tests/test_adjoint_utils
==============================
Matplotlib created a temporary cache directory at /tmp/matplotlib-jr06k15z because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 13, in <module>
import adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.3830 s
FAIL tests/test_adjoint_utils.py (exit status: 1)
FAIL: tests/test_adjoint_cyl
============================
Matplotlib created a temporary cache directory at /tmp/matplotlib-77dkrgc8 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 6, in <module>
import adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.3953 s
FAIL tests/test_adjoint_cyl.py (exit status: 1)
FAIL: tests/test_adjoint_jax
============================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_jax.py", line 3, in <module>
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-vsyla0m5 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
Elapsed run time = 0.0063 s
FAIL tests/test_binary_partition_utils.py (exit status: 1)
FAIL: tests/test_binary_grating
===============================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_grating.py", line 6, in <module>
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-d9aj6ch4 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
Elapsed run time = 0.0017 s
FAIL tests/test_chunk_balancer.py (exit status: 1)
FAIL: tests/test_get_epsilon_grid
=================================
Matplotlib created a temporary cache directory at /tmp/matplotlib-em230a4q because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.5451 s
FAIL tests/test_get_epsilon_grid.py (exit status: 1)
FAIL: tests/test_material_grid
==============================
Matplotlib created a temporary cache directory at /tmp/matplotlib-kx8kv49t because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in <module>
import meep.adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 6, in <module>
import adjoint as mpa
File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
from .optimization_problem import OptimizationProblem
File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
from autograd import grad, jacobian
ModuleNotFoundError: No module named 'autograd'
Elapsed run time = 0.4010 s
FAIL tests/test_material_grid.py (exit status: 1)
FAIL: tests/test_mpb
====================
Matplotlib created a temporary cache directory at /tmp/matplotlib-trax_ltk 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/meepNmMUdV/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: 0.006949186325073242
solve_kpoint (0,0,0):
freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8
Solving for bands 3 to 8...
near maximum in trace
linmin: converged after 11 iterations.
iteration 1: trace = 10.77194213866493 (192.122% change)
linmin: converged after 7 iterations.
iteration 2: trace = 3.075497292525806 (111.161% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.716684762653589 (56.7096% change)
linmin: converged after 7 iterations.
iteration 4: trace = 1.22742070896945 (33.2369% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.060832724595338 (14.5603% change)
linmin: converged after 7 iterations.
iteration 6: trace = 0.9599758521139403 (9.98183% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.909240400209035 (5.42853% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.880767945096899 (3.18127% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8627797420484458 (2.0634% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.8516588552680406 (1.29732% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8438574996288497 (0.920234% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8394516798595174 (0.523471% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.8366290692499949 (0.336811% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.834767852380851 (0.222714% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8337466495477671 (0.122409% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8330292235347114 (0.0860855% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8325947181531659 (0.0521733% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.8323092192026499 (0.0342961% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8321766146416982 (0.0159334% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.8321119589360684 (0.00776977% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.8320745163302405 (0.00449981% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.8320513170030389 (0.00278817% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8320378597035343 (0.00161738% change)
linmin: converged after 5 iterations.
iteration 24: trace = 0.8320296693273969 (0.00098438% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.8320254490102705 (0.000507233% change)
linmin: converged after 5 iterations.
iteration 26: trace = 0.8320231011390544 (0.000282188% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.8320218176827517 (0.000154257% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.8320210651241197 (9.04494e-05% change)
linmin: converged after 7 iterations.
iteration 29: trace = 0.8320205764596332 (5.87322e-05% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.8320203215524494 (3.06371e-05% change)
linmin: converged after 4 iterations.
iteration 31: trace = 0.8320202068535008 (1.37856e-05% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.8320201439113906 (7.56497e-06% change)
linmin: converged after 2 iterations.
iteration 33: trace = 0.8320201056783553 (4.59521e-06% change)
linmin: converged after 2 iterations.
iteration 34: trace = 0.8320200829984286 (2.72589e-06% change)
linmin: converged after 3 iterations.
iteration 35: trace = 0.8320200693469976 (1.64076e-06% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.8320200636022761 (6.90455e-07% change)
linmin: converged after 6 iterations.
iteration 37: trace = 0.8320200604496077 (3.78917e-07% change)
linmin: converged after 4 iterations.
iteration 38: trace = 0.8320200588885587 (1.87622e-07% change)
linmin: converged after 4 iterations.
iteration 39: trace = 0.8320200580360416 (1.02464e-07% change)
linmin: converged after 2 iterations.
iteration 40: trace = 0.8320200576147473 (5.06351e-08% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.8320200574061605 (2.50699e-08% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.8320200572926093 (1.36476e-08% change)
linmin: converged after 7 iterations.
iteration 43: trace = 0.8320200572316058 (7.33198e-09% change)
linmin: converged after 3 iterations.
iteration 44: trace = 0.8320200571981696 (4.01867e-09% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.8320200571762061 (2.63979e-09% change)
linmin: converged after 7 iterations.
iteration 46: trace = 0.8320200571626003 (1.63527e-09% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.8320200571545779 (9.64203e-10% change)
linmin: converged after 8 iterations.
iteration 48: trace = 0.8320200571500291 (5.46718e-10% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.8320200571472443 (3.34713e-10% change)
linmin: converged after 6 iterations.
iteration 50: trace = 0.8320200571454032 (2.21279e-10% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.832020057144456 (1.13835e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 0.8320200571439169 (6.4797e-11% change)
Finished solving for bands 3 to 8 after 52 iterations.
freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833
elapsed time for k point: 0.436861515045166
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 0.8411857073580264 (1.48851% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.836415826892428 (0.568655% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8353099576179084 (0.132303% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.834249341372225 (0.127053% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.832750686725621 (0.179803% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.831802239248742 (0.113958% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8313248193315808 (0.0574123% change)
linmin: converged after 7 iterations.
iteration 8: trace = 0.8309940498476012 (0.0397962% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8307771087497537 (0.0261096% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8306786823965058 (0.0118482% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8306204188765283 (0.00701421% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8305831498030385 (0.004487% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8305591613818053 (0.00288818% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8305450047313088 (0.00170449% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8305386872319385 (0.000760648% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8305355879462615 (0.000373166% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8305341210791161 (0.000176617% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.8305331675841146 (0.000114805% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8305325811294096 (7.06119e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 0.8305322746123354 (3.69061e-05% change)
linmin: converged after 13 iterations.
iteration 21: trace = 0.8305320916748298 (2.20265e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.8305320019893367 (1.07986e-05% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8305319557055921 (5.57278e-06% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.8305319292924425 (3.18027e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8305319161092434 (1.58732e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.8305319042197279 (1.43155e-06% change)
linmin: converged after 7 iterations.
iteration 27: trace = 0.8305318965921994 (9.18391e-07% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.8305318905537223 (7.27061e-07% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.8305318875556134 (3.60987e-07% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.8305318858786975 (2.01909e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 0.8305318849630977 (1.10243e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.83053188455333 (4.9338e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.8305318842111979 (4.11943e-08% change)
linmin: converged after 4 iterations.
iteration 34: trace = 0.8305318840358373 (2.11143e-08% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.8305318839403597 (1.1496e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.8305318839001316 (4.84366e-09% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.8305318838746908 (3.06319e-09% change)
linmin: converged after 6 iterations.
iteration 38: trace = 0.8305318838577103 (2.04454e-09% change)
linmin: converged after 11 iterations.
iteration 39: trace = 0.8305318838472715 (1.25688e-09% change)
linmin: converged after 8 iterations.
iteration 40: trace = 0.8305318838419795 (6.37181e-10% change)
linmin: converged after 7 iterations.
iteration 41: trace = 0.8305318838394076 (3.09674e-10% change)
linmin: converged after 21 iterations.
iteration 42: trace = 0.8305318838374596 (2.34548e-10% change)
linmin: converged after 11 iterations.
iteration 43: trace = 0.8305318838359883 (1.77148e-10% change)
linmin: converged after 6 iterations.
iteration 44: trace = 0.8305318838350267 (1.15777e-10% change)
linmin: converged after 13 iterations.
iteration 45: trace = 0.830531883834597 (5.1746e-11% change)
Finished solving for bands 1 to 8 after 45 iterations.
freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396
elapsed time for k point: 0.4683699607849121
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 0.8363158601013094 (1.66557% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.8340975083119653 (0.265605% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8332458664943838 (0.102156% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8322497918506055 (0.119613% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.8311832900374694 (0.128229% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.830643239426455 (0.0649948% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8303416616999911 (0.0363131% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8301707132785964 (0.0205898% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8300781559959648 (0.0111498% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.8300183450117425 (0.00720572% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8299838209969028 (0.00415951% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8299580236590538 (0.00310822% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8299441420166465 (0.00167259% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.8299355104420039 (0.00104002% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8299314094940682 (0.00049413% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8299288478334288 (0.00030866% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.8299269859864951 (0.000224338% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8299257864058952 (0.000144541% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.829925065824703 (8.68248e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.8299246454651354 (5.06503e-05% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8299243778997327 (3.22397e-05% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.8299242050799012 (2.08236e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.8299241006170164 (1.2587e-05% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.8299240288709488 (8.6449e-06% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.8299239857346408 (5.19762e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.8299239648673494 (2.51436e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 0.8299239559095064 (1.07936e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.8299239507817773 (6.17855e-07% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.8299239486790267 (2.53367e-07% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.8299239474471359 (1.48434e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8299239467744979 (8.10482e-08% change)
linmin: converged after 15 iterations.
iteration 32: trace = 0.8299239462912057 (5.82333e-08% change)
linmin: converged after 7 iterations.
iteration 33: trace = 0.8299239460822301 (2.51801e-08% change)
linmin: converged after 7 iterations.
iteration 34: trace = 0.8299239459468974 (1.63066e-08% change)
linmin: converged after 5 iterations.
iteration 35: trace = 0.8299239458765889 (8.47168e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.829923945819853 (6.83628e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 0.8299239457895662 (3.64934e-09% change)
linmin: converged after 18 iterations.
iteration 38: trace = 0.8299239457730854 (1.98582e-09% change)
linmin: converged after 18 iterations.
iteration 39: trace = 0.829923945762245 (1.30618e-09% change)
linmin: converged after 19 iterations.
iteration 40: trace = 0.8299239457533897 (1.06701e-09% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.8299239457488127 (5.51497e-10% change)
linmin: converged after 21 iterations.
iteration 42: trace = 0.8299239457466062 (2.65863e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.8299239457457753 (1.00117e-10% change)
linmin: converged after 7 iterations.
iteration 44: trace = 0.8299239457452545 (6.27534e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164
elapsed time for k point: 0.6259644031524658
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 0.8384579710375606 (1.6581% change)
linmin: converged after 6 iterations.
iteration 2: trace = 0.8362067464026576 (0.268857% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8349591214250784 (0.149312% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8329527434686574 (0.240586% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.8312082199989654 (0.209658% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8301835396397916 (0.123352% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8295953310408798 (0.0708779% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8291618777512345 (0.0522624% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.828853635231303 (0.0371821% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8286314540905853 (0.0268094% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8284802606975388 (0.0182478% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.828394573576957 (0.0103432% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8283427444933128 (0.00625677% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8283194330452679 (0.00281427% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8283033017525594 (0.00194749% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8282937079886158 (0.00115825% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8282878480625777 (0.000707472% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8282850045905191 (0.000343296% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.8282833184111423 (0.000203575% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8282822463842404 (0.000129428% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8282816459330931 (7.24936e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.8282813061972714 (4.1017e-05% change)
linmin: converged after 10 iterations.
iteration 23: trace = 0.8282810615722169 (2.95341e-05% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.8282809635211562 (1.18379e-05% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8282809080507056 (6.69706e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.8282808797258175 (3.41972e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 0.8282808634907806 (1.96009e-06% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8282808551640866 (1.0053e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 0.8282808490579752 (7.37203e-07% change)
linmin: converged after 2 iterations.
iteration 30: trace = 0.8282808456817696 (4.07616e-07% change)
linmin: converged after 7 iterations.
iteration 31: trace = 0.8282808435852023 (2.53123e-07% change)
linmin: converged after 22 iterations.
iteration 32: trace = 0.8282808424976615 (1.31301e-07% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.8282808418243516 (8.12901e-08% change)
linmin: converged after 26 iterations.
iteration 34: trace = 0.8282808413684954 (5.50364e-08% change)
linmin: converged after 3 iterations.
iteration 35: trace = 0.828280841140105 (2.7574e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 0.8282808410003677 (1.68708e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.8282808409003379 (1.20768e-08% change)
linmin: converged after 6 iterations.
iteration 38: trace = 0.8282808408204219 (9.64843e-09% change)
linmin: converged after 23 iterations.
iteration 39: trace = 0.8282808407815202 (4.69668e-09% change)
linmin: converged after 20 iterations.
iteration 40: trace = 0.8282808407436588 (4.57108e-09% change)
linmin: converged after 5 iterations.
iteration 41: trace = 0.8282808407148377 (3.47964e-09% change)
linmin: converged after 5 iterations.
iteration 42: trace = 0.8282808406920071 (2.75637e-09% change)
linmin: converged after 20 iterations.
iteration 43: trace = 0.8282808406803962 (1.40181e-09% change)
linmin: converged after 7 iterations.
iteration 44: trace = 0.8282808406737897 (7.97615e-10% change)
linmin: converged after 6 iterations.
iteration 45: trace = 0.8282808406704854 (3.98942e-10% change)
linmin: converged after 20 iterations.
iteration 46: trace = 0.8282808406687542 (2.09008e-10% change)
linmin: converged after 16 iterations.
iteration 47: trace = 0.8282808406678079 (1.14242e-10% change)
linmin: converged after 3 iterations.
iteration 48: trace = 0.828280840667424 (4.63508e-11% change)
Finished solving for bands 1 to 8 after 48 iterations.
freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837
elapsed time for k point: 0.6956055164337158
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 0.8297766891069731 (1.76584% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.8271261684665089 (0.319937% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8255817084565217 (0.186901% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.8228149488851038 (0.335691% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.821302982849101 (0.183924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8204117591654698 (0.108572% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8200782988766928 (0.0406537% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8198547383796506 (0.0272646% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8197334194501049 (0.0147987% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8196549411872542 (0.00957409% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8196169098404151 (0.00464003% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8195957363298404 (0.00258338% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8195850475611286 (0.00130416% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8195801359377106 (0.000599284% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8195775858623282 (0.000311145% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8195759931744633 (0.000194331% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.8195753474397358 (7.87889e-05% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.8195750259742771 (3.92234e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8195748466734993 (2.18773e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8195747606874673 (1.04915e-05% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.8195747077048918 (6.46464e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8195746734680505 (4.17739e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.8195746498620216 (2.88028e-06% change)
linmin: converged after 12 iterations.
iteration 24: trace = 0.8195746392254358 (1.29782e-06% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.8195746328348417 (7.79745e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.8195746295494712 (4.00863e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.819574628150167 (1.70735e-07% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.819574627240056 (1.11047e-07% change)
linmin: converged after 13 iterations.
iteration 29: trace = 0.8195746268100962 (5.24613e-08% change)
linmin: converged after 13 iterations.
iteration 30: trace = 0.8195746265188533 (3.55359e-08% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8195746264084744 (1.34678e-08% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.819574626315677 (1.13226e-08% change)
linmin: converged after 21 iterations.
iteration 33: trace = 0.8195746262714604 (5.39507e-09% change)
linmin: converged after 4 iterations.
iteration 34: trace = 0.8195746262510977 (2.48455e-09% change)
linmin: converged after 3 iterations.
iteration 35: trace = 0.8195746262406685 (1.27252e-09% change)
linmin: converged after 12 iterations.
iteration 36: trace = 0.8195746262340663 (8.0556e-10% change)
linmin: converged after 6 iterations.
iteration 37: trace = 0.8195746262311594 (3.54684e-10% change)
linmin: converged after 6 iterations.
iteration 38: trace = 0.8195746262301516 (1.2296e-10% change)
linmin: converged after 14 iterations.
iteration 39: trace = 0.819574626229673 (5.83982e-11% change)
Finished solving for bands 1 to 8 after 39 iterations.
freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603
elapsed time for k point: 0.9072957038879395
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.8202060387200978 (1.70382% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.8182750241160611 (0.235708% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8175355594326705 (0.0904096% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8164009027531225 (0.138886% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8158262222327961 (0.0704167% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8155045628218349 (0.0394352% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8153935931190501 (0.0136084% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8153330404418244 (0.00742647% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.815302039455432 (0.00380232% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8152830534511838 (0.00232874% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8152730327958286 (0.00122911% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8152664896382907 (0.000802576% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8152634044375412 (0.000378429% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.8152616169738085 (0.00021925% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8152605303294074 (0.000133288% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8152599189119021 (7.49966e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8152596059347021 (3.83899e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8152594642120725 (1.73837e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.8152593920835799 (8.84731e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.8152593577039602 (4.21702e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.8152593354987894 (2.72369e-06% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.8152593247016553 (1.32438e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.8152593173087749 (9.06813e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.8152593138254384 (4.27267e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.8152593120047849 (2.23322e-07% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.8152593112736251 (8.96843e-08% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.8152593110092139 (3.24328e-08% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.815259310849337 (1.96106e-08% change)
linmin: converged after 14 iterations.
iteration 29: trace = 0.8152593107911468 (7.13763e-09% change)
linmin: converged after 2 iterations.
iteration 30: trace = 0.8152593107576603 (4.10746e-09% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8152593107456161 (1.47735e-09% change)
linmin: converged after 6 iterations.
iteration 32: trace = 0.8152593107377915 (9.59772e-10% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.8152593107338367 (4.85088e-10% change)
linmin: converged after 6 iterations.
iteration 34: trace = 0.8152593107317029 (2.61739e-10% change)
linmin: converged after 2 iterations.
iteration 35: trace = 0.815259310730681 (1.2534e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.8152593107299856 (8.53034e-11% change)
Finished solving for bands 1 to 8 after 36 iterations.
freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988
elapsed time for k point: 0.4419393539428711
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 0.821370409986769 (1.52178% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.8169092598691139 (0.544614% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8151043146603227 (0.221192% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.8124543005631808 (0.325643% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8112401685594185 (0.149552% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8106456426067763 (0.0733129% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8104033710413469 (0.0298907% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8102812528478489 (0.01507% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8102098418733521 (0.0088135% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.810170532140577 (0.00485191% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8101434675866153 (0.00334066% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.810127159684356 (0.00201298% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8101190529539548 (0.00100068% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8101141957189375 (0.000599572% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8101112551273704 (0.000362985% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8101100249752453 (0.00015185% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8101093505151842 (8.32554e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8101090557261186 (3.63888e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8101089101963076 (1.79642e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.8101088685543414 (5.14029e-06% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8101088443461926 (2.98826e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8101088339233447 (1.2866e-06% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8101088287653664 (6.36702e-07% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.8101088257061433 (3.77631e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.8101088238653309 (2.2723e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 0.8101088226655317 (1.48103e-07% change)
linmin: converged after 6 iterations.
iteration 27: trace = 0.8101088219921039 (8.31281e-08% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.8101088216435341 (4.30275e-08% change)
linmin: converged after 2 iterations.
iteration 29: trace = 0.8101088214253348 (2.69346e-08% change)
linmin: converged after 2 iterations.
iteration 30: trace = 0.8101088213419818 (1.02891e-08% change)
linmin: converged after 7 iterations.
iteration 31: trace = 0.810108821310263 (3.91538e-09% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.8101088212925489 (2.18663e-09% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.8101088212829828 (1.18084e-09% change)
linmin: converged after 6 iterations.
iteration 34: trace = 0.8101088212792965 (4.55034e-10% change)
linmin: converged after 2 iterations.
iteration 35: trace = 0.8101088212770267 (2.80191e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.8101088212756522 (1.69663e-10% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.8101088212748287 (1.01647e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.8101088212743903 (5.41195e-11% change)
Finished solving for bands 1 to 8 after 38 iterations.
freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445
elapsed time for k point: 0.5775744915008545
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 0.8092733711280252 (1.38558% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.8062984969772575 (0.368275% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.805333055837807 (0.119809% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.8040592280609682 (0.158299% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.8034666835426756 (0.0737213% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.8031100766843842 (0.0443934% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8029749352577098 (0.0168287% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8028924749265869 (0.0102699% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8028467143041444 (0.00569963% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8028180397698008 (0.00357167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.8027995733459991 (0.00230023% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8027906687323363 (0.0011092% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8027867967539709 (0.000482316% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8027849000552016 (0.000236265% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.8027839219051784 (0.000121845% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.802783473220715 (5.58911e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.8027832650213433 (2.59347e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8027831684655302 (1.20276e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8027831163738787 (6.48888e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8027830991936691 (2.14008e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.8027830866479161 (1.56278e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8027830797597426 (8.58037e-07% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.8027830760515264 (4.6192e-07% change)
linmin: converged after 12 iterations.
iteration 24: trace = 0.8027830736191417 (3.02994e-07% change)
linmin: converged after 23 iterations.
iteration 25: trace = 0.8027830724307849 (1.4803e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.802783071757542 (8.38636e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.8027830715079969 (3.1085e-08% change)
linmin: converged after 12 iterations.
iteration 28: trace = 0.8027830713939035 (1.42122e-08% change)
linmin: converged after 12 iterations.
iteration 29: trace = 0.8027830713270424 (8.32866e-09% change)
linmin: converged after 22 iterations.
iteration 30: trace = 0.802783071298987 (3.49477e-09% change)
linmin: converged after 4 iterations.
iteration 31: trace = 0.8027830712879676 (1.37265e-09% change)
linmin: converged after 15 iterations.
iteration 32: trace = 0.8027830712796175 (1.04014e-09% change)
linmin: converged after 13 iterations.
iteration 33: trace = 0.8027830712735204 (7.59484e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.8027830712713145 (2.74782e-10% change)
linmin: converged after 7 iterations.
iteration 35: trace = 0.8027830712698051 (1.88028e-10% change)
linmin: converged after 7 iterations.
iteration 36: trace = 0.8027830712687665 (1.29377e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.8027830712683007 (5.80155e-11% change)
Finished solving for bands 1 to 8 after 37 iterations.
freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089
elapsed time for k point: 0.4970245361328125
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.8068179225888147 (1.29517% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.804832588192878 (0.246373% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.8042872136602734 (0.0677854% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8036249724598679 (0.0823728% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.8032567356251885 (0.0458325% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.8029920196650606 (0.0329608% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8028887415048993 (0.0128625% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8028182815775589 (0.00877619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8027780187785095 (0.00501531% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.8027521710407243 (0.00321984% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8027359476526494 (0.00202099% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8027279829144561 (0.000992204% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8027238801143823 (0.000511108% change)
linmin: converged after 5 iterations.
iteration 14: trace = 0.802721142098596 (0.000341091% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8027191516384176 (0.000247964% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8027176224959517 (0.000190496% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.8027166889701811 (0.000116296% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.8027162103596904 (5.96239e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8027159091591474 (3.75227e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.8027158068781742 (1.27419e-05% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8027157420448232 (8.07675e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8027157093436422 (4.07382e-06% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.8027156963900606 (1.61372e-06% change)
linmin: converged after 21 iterations.
iteration 24: trace = 0.8027156897719048 (8.24471e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8027156870140719 (3.43563e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.8027156854301813 (1.97317e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.8027156847538276 (8.42582e-08% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.8027156842766803 (5.94416e-08% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.8027156840251533 (3.13345e-08% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.8027156839051051 (1.49553e-08% change)
linmin: converged after 3 iterations.
iteration 31: trace = 0.802715683853704 (6.4034e-09% change)
linmin: converged after 3 iterations.
iteration 32: trace = 0.8027156838186866 (4.36236e-09% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.8027156837999561 (2.3334e-09% change)
linmin: converged after 7 iterations.
iteration 34: trace = 0.8027156837942564 (7.10048e-10% change)
linmin: converged after 12 iterations.
iteration 35: trace = 0.8027156837904589 (4.73084e-10% change)
linmin: converged after 7 iterations.
iteration 36: trace = 0.8027156837880033 (3.0591e-10% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.8027156837870201 (1.22486e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.8027156837865845 (5.42584e-11% change)
Finished solving for bands 1 to 8 after 38 iterations.
freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458
elapsed time for k point: 0.4075968265533447
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.81552943763693 (1.37094% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.8138776522678332 (0.202747% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.8133742935487387 (0.0618661% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8126556331387632 (0.0883945% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.8121871670607972 (0.0576629% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.8117923023564982 (0.0486293% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8116108115423182 (0.0223593% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8114739977365056 (0.0168585% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8113791011433781 (0.011695% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8113085750799227 (0.0086925% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8112504355243503 (0.0071664% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8112110667173142 (0.00485297% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.811182625400972 (0.00350609% change)
linmin: converged after 5 iterations.
iteration 14: trace = 0.811159352366833 (0.00286907% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8111444357100563 (0.00183895% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8111354444139368 (0.00110848% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.8111316026057771 (0.000473634% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8111301871456813 (0.000174505% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8111293526274568 (0.000102883% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.8111290114631671 (4.20604e-05% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.8111287652725699 (3.03516e-05% change)
linmin: converged after 12 iterations.
iteration 22: trace = 0.8111286057812002 (1.96629e-05% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.811128523442616 (1.01511e-05% change)
linmin: converged after 22 iterations.
iteration 24: trace = 0.8111284687544931 (6.74223e-06% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.8111284433477544 (3.13227e-06% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.8111284222031219 (2.60682e-06% change)
linmin: converged after 25 iterations.
iteration 27: trace = 0.8111284113560471 (1.33728e-06% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.8111284028316927 (1.05093e-06% change)
linmin: converged after 2 iterations.
iteration 29: trace = 0.8111283987915548 (4.98089e-07% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.811128396788974 (2.46888e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8111283955216868 (1.56238e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 0.8111283948185326 (8.66884e-08% change)
linmin: converged after 20 iterations.
iteration 33: trace = 0.8111283945321667 (3.53046e-08% change)
linmin: converged after 4 iterations.
iteration 34: trace = 0.8111283944066422 (1.54753e-08% change)
linmin: converged after 2 iterations.
iteration 35: trace = 0.8111283943165311 (1.11094e-08% change)
linmin: converged after 19 iterations.
iteration 36: trace = 0.8111283942752683 (5.08708e-09% change)
linmin: converged after 11 iterations.
iteration 37: trace = 0.8111283942632429 (1.48255e-09% change)
linmin: converged after 2 iterations.
iteration 38: trace = 0.8111283942557574 (9.22845e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.8111283942508327 (6.07145e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.8111283942481882 (3.26034e-10% change)
linmin: converged after 14 iterations.
iteration 41: trace = 0.8111283942468087 (1.70066e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.8111283942460432 (9.43746e-11% change)
Finished solving for bands 1 to 8 after 42 iterations.
freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942
elapsed time for k point: 0.5479404926300049
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.8290563269209446 (1.5156% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.827355026462319 (0.20542% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8266224782056244 (0.0885802% change)
large trace change predicted (0.193434%)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8250101628934576 (0.195239% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.8239463222279177 (0.129032% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8228610425231913 (0.131804% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8221978507087041 (0.0806283% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8216235802243929 (0.0698702% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8211054695642303 (0.0630793% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8206083191261524 (0.0605648% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8201236287639451 (0.0590822% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8197787982961504 (0.042055% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8195406353220518 (0.0290563% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.8193469211850548 (0.0236397% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8192379771352076 (0.0132973% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8191817953720222 (0.00685804% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.8191490570076447 (0.00399655% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8191307360017697 (0.00223662% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8191110855886204 (0.00239896% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.8190994002105967 (0.0014266% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.8190864754427954 (0.00157794% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.8190800027292129 (0.000790239% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.8190771103947454 (0.000353121% change)
linmin: converged after 5 iterations.
iteration 24: trace = 0.819074813932527 (0.000280372% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.8190737905148688 (0.000124948% change)
linmin: converged after 4 iterations.
iteration 26: trace = 0.8190729885722773 (9.79085e-05% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.8190726416047907 (4.2361e-05% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8190724446469594 (2.40464e-05% change)
linmin: converged after 2 iterations.
iteration 29: trace = 0.8190723634325828 (9.91541e-06% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.8190723223058891 (5.02113e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8190722936361974 (3.50026e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.8190722799506279 (1.67086e-06% change)
linmin: converged after 7 iterations.
iteration 33: trace = 0.8190722717209055 (1.00476e-06% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.8190722641677792 (9.22156e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 0.8190722569175836 (8.85172e-07% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.8190722523986513 (5.51714e-07% change)
linmin: converged after 5 iterations.
iteration 37: trace = 0.8190722470126113 (6.57578e-07% change)
linmin: converged after 7 iterations.
iteration 38: trace = 0.8190722404773005 (7.97892e-07% change)
linmin: converged after 12 iterations.
iteration 39: trace = 0.8190722358112574 (5.69674e-07% change)
linmin: converged after 19 iterations.
iteration 40: trace = 0.819072232713411 (3.78214e-07% change)
linmin: converged after 4 iterations.
iteration 41: trace = 0.8190722304560768 (2.75596e-07% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.8190722291582339 (1.58453e-07% change)
linmin: converged after 4 iterations.
iteration 43: trace = 0.8190722281638572 (1.21403e-07% change)
linmin: converged after 3 iterations.
iteration 44: trace = 0.8190722275599032 (7.37364e-08% change)
linmin: converged after 2 iterations.
iteration 45: trace = 0.8190722273229287 (2.89321e-08% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.8190722271693907 (1.87454e-08% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.8190722271071549 (7.59833e-09% change)
linmin: converged after 2 iterations.
iteration 48: trace = 0.8190722270707881 (4.44e-09% change)
linmin: converged after 8 iterations.
iteration 49: trace = 0.8190722270585117 (1.49882e-09% change)
linmin: converged after 9 iterations.
iteration 50: trace = 0.8190722270528314 (6.93496e-10% change)
linmin: converged after 2 iterations.
iteration 51: trace = 0.8190722270495938 (3.9528e-10% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.8190722270481847 (1.72036e-10% change)
linmin: converged after 4 iterations.
iteration 53: trace = 0.8190722270473992 (9.58991e-11% change)
Finished solving for bands 1 to 8 after 53 iterations.
freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307
elapsed time for k point: 0.6345422267913818
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 0.8318723246575208 (3.13082% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.8276838459059703 (0.504771% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8250719752377973 (0.316062% change)
large trace change predicted (0.829962%)
linmin: converged after 5 iterations.
iteration 4: trace = 0.8181500822182408 (0.842478% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.8146308842095282 (0.431068% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8121449349130132 (0.305629% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8110067055812011 (0.140249% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8102662668461114 (0.0913404% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8097637147433555 (0.0620423% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.8094608758596253 (0.0374054% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8092619572251591 (0.0245772% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8091489869969691 (0.0139606% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8090914838527378 (0.00710687% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8090524495612961 (0.00482458% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.809029904831553 (0.0027866% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8090196961709383 (0.00126185% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.809014953258021 (0.000586256% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8090133783585544 (0.000194669% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8090122091828483 (0.000144519% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8090117465490818 (5.7185e-05% change)
linmin: converged after 5 iterations.
iteration 21: trace = 0.8090114311733325 (3.89828e-05% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8090112622133538 (2.08847e-05% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.8090112032213241 (7.29187e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 0.8090111645767132 (4.77677e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8090111496273191 (1.84786e-06% change)
linmin: converged after 12 iterations.
iteration 26: trace = 0.8090111376871489 (1.4759e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.8090111299481237 (9.56603e-07% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8090111234591644 (8.02085e-07% change)
linmin: converged after 18 iterations.
iteration 29: trace = 0.8090111190077993 (5.50223e-07% change)
linmin: converged after 6 iterations.
iteration 30: trace = 0.8090111160067404 (3.70954e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 0.8090111140715629 (2.39203e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.8090111128405609 (1.52161e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 0.8090111123538611 (6.01598e-08% change)
linmin: converged after 4 iterations.
iteration 34: trace = 0.8090111120761609 (3.43259e-08% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.8090111118275729 (3.07274e-08% change)
linmin: converged after 9 iterations.
iteration 36: trace = 0.8090111117288277 (1.22057e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.8090111116923974 (4.50307e-09% change)
linmin: converged after 2 iterations.
iteration 38: trace = 0.8090111116668653 (3.15595e-09% change)
linmin: converged after 18 iterations.
iteration 39: trace = 0.8090111116513792 (1.91421e-09% change)
linmin: converged after 3 iterations.
iteration 40: trace = 0.8090111116440931 (9.00613e-10% change)
linmin: converged after 8 iterations.
iteration 41: trace = 0.8090111116401743 (4.84402e-10% change)
linmin: converged after 7 iterations.
iteration 42: trace = 0.8090111116384466 (2.13547e-10% change)
linmin: converged after 2 iterations.
iteration 43: trace = 0.8090111116376205 (1.02114e-10% change)
linmin: converged after 6 iterations.
iteration 44: trace = 0.809011111637009 (7.55874e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272
elapsed time for k point: 0.7907288074493408
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 0.8171851171028939 (2.82615% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.8139180273679645 (0.400599% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.8130234308030294 (0.109973% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8115816240617594 (0.177496% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8108367043904985 (0.0918283% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.8104212308346033 (0.0512532% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8102651075147946 (0.0192663% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8101854245831668 (0.00983466% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8101424830516069 (0.00530035% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.8101209445535005 (0.00265864% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.8101107143717303 (0.0012628% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8101053670865759 (0.000660071% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.8101033097483951 (0.00025396% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.8101024191779366 (0.000109933% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.8101019341435783 (5.98732e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8101016896360241 (3.01823e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.8101015590582977 (1.61187e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.8101015104593606 (5.99912e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.8101014866005625 (2.94516e-06% change)
linmin: converged after 14 iterations.
iteration 20: trace = 0.8101014766732861 (1.22544e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.8101014719162731 (5.87212e-07% change)
linmin: converged after 9 iterations.
iteration 22: trace = 0.8101014694525351 (3.04127e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8101014680412499 (1.74211e-07% change)
linmin: converged after 4 iterations.
iteration 24: trace = 0.8101014671897433 (1.05111e-07% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.8101014666458746 (6.71359e-08% change)
linmin: converged after 21 iterations.
iteration 26: trace = 0.8101014663668955 (3.44375e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.810101466265404 (1.25282e-08% change)
linmin: converged after 18 iterations.
iteration 28: trace = 0.81010146620943 (6.90951e-09% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.8101014661850824 (3.0055e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.8101014661721246 (1.59952e-09% change)
linmin: converged after 10 iterations.
iteration 31: trace = 0.8101014661683203 (4.69607e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.8101014661663729 (2.40395e-10% change)
linmin: converged after 7 iterations.
iteration 33: trace = 0.8101014661650514 (1.63128e-10% change)
linmin: converged after 6 iterations.
iteration 34: trace = 0.8101014661646309 (5.19136e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281
elapsed time for k point: 0.5740935802459717
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 7 iterations.
iteration 1: trace = 0.8384802898745893 (2.88371% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.8342584911062945 (0.504777% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.8324378232297395 (0.218476% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.8292138799100239 (0.388041% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8273222532323038 (0.228383% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8262867608251799 (0.12524% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.825746249526539 (0.0654359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.8254198265356778 (0.0395385% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.8251898663616752 (0.0278637% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.825060638482868 (0.0156616% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.8249885908464127 (0.00873279% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8249476216823401 (0.00496615% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8249285370650685 (0.00231346% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8249170794087209 (0.00138894% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8249097450566564 (0.000889106% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.8249057647163058 (0.000482519% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8249036821750687 (0.000252458% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.8249026994258288 (0.000119135% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8249021282724941 (6.92389e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8249018605074979 (3.24602e-05% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8249016803447533 (2.18405e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.8249015845869493 (1.16084e-05% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.8249015344706894 (6.07542e-06% change)
linmin: converged after 29 iterations.
iteration 24: trace = 0.8249015089280828 (3.09644e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8249014948902014 (1.70176e-06% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.824901488614488 (7.60783e-07% change)
linmin: converged after 20 iterations.
iteration 27: trace = 0.8249014853873696 (3.91213e-07% change)
linmin: converged after 2 iterations.
iteration 28: trace = 0.8249014836509936 (2.10495e-07% change)
linmin: converged after 2 iterations.
iteration 29: trace = 0.8249014827636325 (1.07572e-07% change)
linmin: converged after 18 iterations.
iteration 30: trace = 0.8249014823775741 (4.68005e-08% change)
linmin: converged after 8 iterations.
iteration 31: trace = 0.8249014822007897 (2.1431e-08% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.824901482090505 (1.33694e-08% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.8249014820217438 (8.33568e-09% change)
linmin: converged after 17 iterations.
iteration 34: trace = 0.8249014819930198 (3.48212e-09% change)
linmin: converged after 3 iterations.
iteration 35: trace = 0.8249014819693661 (2.86746e-09% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.824901481953956 (1.86812e-09% change)
linmin: converged after 29 iterations.
iteration 37: trace = 0.8249014819460345 (9.60289e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.824901481942062 (4.81571e-10% change)
linmin: converged after 12 iterations.
iteration 39: trace = 0.8249014819395264 (3.07387e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.8249014819380522 (1.78707e-10% change)
linmin: converged after 19 iterations.
iteration 41: trace = 0.8249014819373074 (9.02955e-11% change)
Finished solving for bands 1 to 8 after 41 iterations.
freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434
elapsed time for k point: 1.276146650314331
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 0.8480483504591123 (3.58198% change)
linmin: converged after 6 iterations.
iteration 2: trace = 0.8430089126043947 (0.59601% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.8384490944515184 (0.542365% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.8335042421908354 (0.591506% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.8312006937665399 (0.276752% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8303345713220851 (0.104256% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.8298720782410276 (0.0557151% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.829643818342118 (0.0275092% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8295035920716858 (0.0169034% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.8294292605779853 (0.00896136% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8293938184228483 (0.00427317% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.8293756458030893 (0.0021911% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8293681148786953 (0.000908027% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.8293644321962766 (0.000444036% change)
linmin: converged after 3 iterations.
iteration 15: trace = 0.8293622462035652 (0.000263575% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.8293611088425483 (0.000137137% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.829360506372306 (7.26427e-05% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.8293602062721993 (3.61845e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.8293600606222398 (1.75617e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.8293599788560092 (9.85895e-06% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8293599294100364 (5.96194e-06% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.8293598981795793 (3.76561e-06% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.8293598817828403 (1.97704e-06% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.8293598714059208 (1.2512e-06% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.8293598655872627 (7.01584e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.8293598628133634 (3.34463e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.8293598612781703 (1.85106e-07% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.829359860406113 (1.05148e-07% change)
linmin: converged after 3 iterations.
iteration 29: trace = 0.8293598600266681 (4.57515e-08% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.829359859880868 (1.75798e-08% change)
linmin: converged after 4 iterations.
iteration 31: trace = 0.8293598598147822 (7.96829e-09% change)
linmin: converged after 15 iterations.
iteration 32: trace = 0.8293598597813754 (4.02803e-09% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.8293598597669891 (1.73462e-09% change)
linmin: converged after 9 iterations.
iteration 34: trace = 0.8293598597619863 (6.03209e-10% change)
linmin: converged after 20 iterations.
iteration 35: trace = 0.8293598597589525 (3.658e-10% change)
linmin: converged after 7 iterations.
iteration 36: trace = 0.8293598597571552 (2.16714e-10% change)
linmin: converged after 8 iterations.
iteration 37: trace = 0.8293598597560862 (1.28899e-10% change)
linmin: converged after 12 iterations.
iteration 38: trace = 0.8293598597555062 (6.99311e-11% change)
Finished solving for bands 1 to 8 after 38 iterations.
freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139
elapsed time for k point: 2.572829008102417
solve_kpoint (0,0,0):
Solving for bands 3 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 0.8480940244383111 (1.69227% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.8419235022391054 (0.730232% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.8394087479244907 (0.299138% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.8364662672427864 (0.351158% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.8346723545398473 (0.214693% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.8334606568487466 (0.145276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.8328462065786069 (0.07375% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.8325101793125117 (0.040355% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.8322457691396589 (0.0317656% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.8321412516982039 (0.0125593% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.8320852115237533 (0.00673468% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.8320477512855955 (0.00450207% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.8320325851853659 (0.00182276% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.8320268694258959 (0.000686966% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.8320236470047004 (0.000387298% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.8320220385837229 (0.000193315% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.8320210664606001 (0.000116839% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.8320206058344799 (5.53623e-05% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.8320203906623704 (2.58614e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.8320202605730953 (1.56353e-05% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.8320201840423713 (9.19818e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.8320201379422794 (5.54074e-06% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.8320200998172955 (4.58222e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.8320200739733774 (3.10617e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.8320200654921723 (1.01935e-06% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.8320200619872655 (4.21253e-07% change)
linmin: converged after 6 iterations.
iteration 27: trace = 0.8320200597339977 (2.70819e-07% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.8320200583654859 (1.64481e-07% change)
linmin: converged after 3 iterations.
iteration 29: trace = 0.832020057676187 (8.28464e-08% change)
linmin: converged after 26 iterations.
iteration 30: trace = 0.8320200574763273 (2.4021e-08% change)
linmin: converged after 2 iterations.
iteration 31: trace = 0.8320200573161713 (1.92491e-08% change)
linmin: converged after 2 iterations.
iteration 32: trace = 0.8320200572338544 (9.89362e-09% change)
linmin: converged after 2 iterations.
iteration 33: trace = 0.8320200571976759 (4.34827e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 0.8320200571735464 (2.90011e-09% change)
linmin: converged after 2 iterations.
iteration 35: trace = 0.832020057159289 (1.7136e-09% change)
linmin: converged after 2 iterations.
iteration 36: trace = 0.832020057152568 (8.07788e-10% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.8320200571484557 (4.94251e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 0.8320200571461506 (2.77055e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.8320200571449828 (1.40349e-10% change)
linmin: converged after 2 iterations.
iteration 40: trace = 0.8320200571443126 (8.05559e-11% change)
Finished solving for bands 3 to 8 after 40 iterations.
freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833
..elapsed time for k point: 0.7968893051147461
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024663 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2306191582641471 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.2169677695447459 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855334 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.3008564830839493 at Vector3<0.5, 0.0, 0.0> to 0.365115253765172 at Vector3<0.0, 0.0, 0.0>
Band 5 range: 0.3071498340039349 at Vector3<0.5, 0.5, 0.0> to 0.3853163617714739 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259556 at Vector3<0.5, 0.1, 0.0>
Band 7 range: 0.3495385376612383 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230435 at Vector3<0.4, 0.0, 0.0>
Band 8 range: 0.39613882331011147 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.4773065722591571 at Vector3<0.5, 0.5, 0.0>
total elapsed time for run: 12.265280961990356
done
/tmp/meepNmMUdV/test_anisotropic_2d_gap-0: 12.27s
/tmp/meepNmMUdV/test_attribute_accessors-0
========================
/tmp/meepNmMUdV/test_attribute_accessors-0: 0.00s
/tmp/meepNmMUdV/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: 0.0006062984466552734
solve_kpoint (0.5,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 1 to 8...
near maximum in trace
linmin: converged after 18 iterations.
iteration 1: trace = 27.80144625042668 (180.5% change)
linmin: converged after 16 iterations.
iteration 2: trace = 19.82418800058347 (33.4999% change)
linmin: converged after 8 iterations.
iteration 3: trace = 18.80241121676355 (5.29053% change)
linmin: converged after 9 iterations.
switching to approximate line minimization (decrease time by 53.8211%)
iteration 4: trace = 18.64391851739208 (0.846506% change)
iteration 5: trace = 18.63017879178811 (0.0737226% change)
iteration 6: trace = 18.62916087316935 (0.00546396% change)
iteration 7: trace = 18.62909560171773 (0.000350373% change)
iteration 8: trace = 18.62908847487772 (3.82565e-05% change)
iteration 9: trace = 18.62908778007814 (3.72965e-06% change)
iteration 10: trace = 18.62908770043223 (4.27535e-07% change)
iteration 11: trace = 18.62908769519267 (2.81257e-08% change)
iteration 12: trace = 18.62908769492712 (1.42543e-09% change)
iteration 13: trace = 18.62908769487256 (2.92889e-10% change)
iteration 14: trace = 18.62908769486296 (5.15293e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631
elapsed time for k point: 0.008147001266479492
total elapsed time for run: 0.008925437927246094
done
Fixing h-field (band 8) phase by 0.909549 + -0.415598i; max ampl. = 1.96664
.Outputting fields to /tmp/meepNmMUdV/test_bragg-0-h.k01.b08.y.tm.h5...
/tmp/meepNmMUdV/test_bragg-0: 0.03s
/tmp/meepNmMUdV/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: 0.011955738067626953
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 17 iterations.
iteration 1: trace = 17.30275056402841 (175.314% change)
linmin: converged after 9 iterations.
iteration 2: trace = 11.97603738636608 (36.3862% change)
linmin: converged after 6 iterations.
iteration 3: trace = 11.17691626017051 (6.90297% change)
linmin: converged after 5 iterations.
iteration 4: trace = 11.08896486916847 (0.79001% change)
linmin: converged after 6 iterations.
iteration 5: trace = 11.08297661618325 (0.0540165% change)
linmin: converged after 6 iterations.
iteration 6: trace = 11.08249596623342 (0.00433692% change)
linmin: converged after 8 iterations.
switching to approximate line minimization (decrease time by 52.7473%)
iteration 7: trace = 11.08219937792932 (0.00267622% change)
iteration 8: trace = 11.080392850722 (0.0163025% change)
iteration 9: trace = 11.07371100354852 (0.0603215% change)
iteration 10: trace = 11.07251024800463 (0.0108439% change)
iteration 11: trace = 11.07220229832265 (0.00278125% change)
iteration 12: trace = 11.07213750357019 (0.000585204% change)
switching back to exact line minimization
iteration 13: trace = 11.07212372583534 (0.000124436% change)
linmin: converged after 5 iterations.
iteration 14: trace = 11.07210662373079 (0.000154461% change)
large trace change predicted (0.000904444%)
linmin: converged after 6 iterations.
iteration 15: trace = 11.07200625199324 (0.000906532% change)
large trace change predicted (0.00193796%)
linmin: converged after 8 iterations.
iteration 16: trace = 11.07178910989817 (0.0019612% change)
linmin: converged after 6 iterations.
switching to approximate line minimization (decrease time by 56.7647%)
iteration 17: trace = 11.07169614354567 (0.000839672% change)
switching back to exact line minimization
iteration 18: trace = 11.07168119487405 (0.000135017% change)
linmin: converged after 5 iterations.
iteration 19: trace = 11.07167967432562 (1.37337e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 11.07167945051098 (2.02151e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 11.07167929505452 (1.40409e-06% change)
large trace change predicted (4.38751e-06%)
linmin: converged after 8 iterations.
switching to approximate line minimization (decrease time by 50.3968%)
iteration 22: trace = 11.07167880926209 (4.3877e-06% change)
switching back to exact line minimization
iteration 23: trace = 11.07167737785909 (1.29285e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 11.07167529156515 (1.88435e-05% change)
linmin: converged after 5 iterations.
iteration 25: trace = 11.07167461781578 (6.08534e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 11.07167456835154 (4.46764e-07% change)
linmin: converged after 5 iterations.
iteration 27: trace = 11.07167456420247 (3.74747e-08% change)
linmin: converged after 10 iterations.
switching to approximate line minimization (decrease time by 53.0249%)
iteration 28: trace = 11.07167456258468 (1.46119e-08% change)
iteration 29: trace = 11.07167456023996 (2.11777e-08% change)
iteration 30: trace = 11.07167454952975 (9.67352e-08% change)
iteration 31: trace = 11.0716745265655 (2.07414e-07% change)
iteration 32: trace = 11.07167451642746 (9.15674e-08% change)
iteration 33: trace = 11.07167451433561 (1.88937e-08% change)
switching back to exact line minimization
iteration 34: trace = 11.07167451401479 (2.89764e-09% change)
linmin: converged after 3 iterations.
iteration 35: trace = 11.07167451399135 (2.11751e-10% change)
linmin: converged after 4 iterations.
iteration 36: trace = 11.07167451397456 (1.51649e-10% change)
large trace change predicted (7.13883e-10%)
linmin: converged after 4 iterations.
iteration 37: trace = 11.07167451389748 (6.9614e-10% change)
large trace change predicted (1.63088e-09%)
linmin: converged after 5 iterations.
iteration 38: trace = 11.07167451371534 (1.64509e-09% change)
linmin: converged after 3 iterations.
iteration 39: trace = 11.07167451354861 (1.50594e-09% change)
linmin: converged after 4 iterations.
iteration 40: trace = 11.07167451350041 (4.35358e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 11.07167451349703 (3.0532e-11% change)
Finished solving for bands 2 to 8 after 41 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: 0.023462533950805664
solve_kpoint (0.05,0,0):
Solving for bands 1 to 8...
linmin: converged after 9 iterations.
iteration 1: trace = 11.04205676362264 (0.320418% change)
linmin: converged after 9 iterations.
switching to approximate line minimization (decrease time by 52.9586%)
iteration 2: trace = 11.02779426292185 (0.129249% change)
iteration 3: trace = 11.02770548830118 (0.000805011% change)
switching back to exact line minimization
large trace change predicted (0.0932976%)
linmin: converged after 10 iterations.
iteration 4: trace = 11.01806805974838 (0.0874311% change)
linmin: converged after 6 iterations.
iteration 5: trace = 11.01664461758451 (0.01292% change)
linmin: converged after 8 iterations.
iteration 6: trace = 11.0154040894937 (0.0112611% change)
linmin: converged after 11 iterations.
iteration 7: trace = 11.01433970763716 (0.00966313% change)
linmin: converged after 6 iterations.
iteration 8: trace = 11.01352707839686 (0.00737819% change)
linmin: converged after 6 iterations.
iteration 9: trace = 11.01297409187892 (0.0050211% change)
linmin: converged after 5 iterations.
iteration 10: trace = 11.01260407358719 (0.0033599% change)
linmin: converged after 7 iterations.
iteration 11: trace = 11.01234640337442 (0.0023398% change)
linmin: converged after 7 iterations.
iteration 12: trace = 11.01215775508087 (0.00171308% change)
linmin: converged after 5 iterations.
iteration 13: trace = 11.01201309868062 (0.00131361% change)
linmin: converged after 5 iterations.
iteration 14: trace = 11.01189759598877 (0.00104888% change)
linmin: converged after 5 iterations.
iteration 15: trace = 11.01180203206561 (0.000867828% change)
linmin: converged after 5 iterations.
iteration 16: trace = 11.01172040916542 (0.000741234% change)
linmin: converged after 5 iterations.
iteration 17: trace = 11.01164863964709 (0.000651758% change)
linmin: converged after 5 iterations.
iteration 18: trace = 11.01158380593971 (0.000588776% change)
linmin: converged after 5 iterations.
iteration 19: trace = 11.01152372324741 (0.000545633% change)
linmin: converged after 5 iterations.
iteration 20: trace = 11.0114666677746 (0.000518145% change)
linmin: converged after 5 iterations.
iteration 21: trace = 11.01141120224414 (0.000503708% change)
linmin: converged after 5 iterations.
iteration 22: trace = 11.01135605865556 (0.000500787% change)
linmin: converged after 5 iterations.
iteration 23: trace = 11.01130005666753 (0.000508585% change)
linmin: converged after 5 iterations.
iteration 24: trace = 11.01124204603358 (0.00052683% change)
linmin: converged after 5 iterations.
iteration 25: trace = 11.01118086620204 (0.000555614% change)
linmin: converged after 5 iterations.
iteration 26: trace = 11.01111532017175 (0.00059527% change)
linmin: converged after 5 iterations.
iteration 27: trace = 11.01104416383781 (0.000646225% change)
linmin: converged after 5 iterations.
iteration 28: trace = 11.01096610959991 (0.000708875% change)
linmin: converged after 5 iterations.
iteration 29: trace = 11.01087984653262 (0.000783432% change)
linmin: converged after 6 iterations.
iteration 30: trace = 11.01078407485895 (0.000869795% change)
linmin: converged after 6 iterations.
iteration 31: trace = 11.01067755889182 (0.000967383% change)
linmin: converged after 8 iterations.
iteration 32: trace = 11.01055917726705 (0.00107516% change)
linmin: converged after 6 iterations.
iteration 33: trace = 11.01042798147006 (0.00119155% change)
linmin: converged after 6 iterations.
iteration 34: trace = 11.01028327437113 (0.00131428% change)
linmin: converged after 10 iterations.
iteration 35: trace = 11.01012463492527 (0.00144084% change)
linmin: converged after 6 iterations.
iteration 36: trace = 11.00995200038872 (0.00156797% change)
linmin: converged after 5 iterations.
iteration 37: trace = 11.00976570007792 (0.00169212% change)
linmin: converged after 6 iterations.
iteration 38: trace = 11.00956662748363 (0.00180816% change)
linmin: converged after 6 iterations.
iteration 39: trace = 11.00935625534778 (0.00191083% change)
linmin: converged after 6 iterations.
iteration 40: trace = 11.00913671767305 (0.00199412% change)
linmin: converged after 8 iterations.
iteration 41: trace = 11.00891078382791 (0.00205226% change)
linmin: converged after 6 iterations.
iteration 42: trace = 11.00868179842986 (0.00208002% change)
linmin: converged after 5 iterations.
iteration 43: trace = 11.00845295674856 (0.00207876% change)
linmin: converged after 5 iterations.
iteration 44: trace = 11.0082275421964 (0.00204767% change)
linmin: converged after 7 iterations.
iteration 45: trace = 11.00800816555624 (0.00199286% change)
linmin: converged after 5 iterations.
iteration 46: trace = 11.00779674420663 (0.00192063% change)
linmin: converged after 7 iterations.
iteration 47: trace = 11.00759420211886 (0.00184% change)
linmin: converged after 5 iterations.
iteration 48: trace = 11.00740105726802 (0.00175467% change)
linmin: converged after 7 iterations.
iteration 49: trace = 11.0072171318706 (0.00167094% change)
linmin: converged after 7 iterations.
iteration 50: trace = 11.00704207442321 (0.0015904% change)
linmin: converged after 6 iterations.
iteration 51: trace = 11.00687534405666 (0.00151477% change)
linmin: converged after 6 iterations.
iteration 52: trace = 11.00671628941424 (0.00144506% change)
linmin: converged after 7 iterations.
iteration 53: trace = 11.00656427267694 (0.00138114% change)
linmin: converged after 5 iterations.
iteration 54: trace = 11.00641873658716 (0.00132228% change)
linmin: converged after 6 iterations.
iteration 55: trace = 11.00627916723906 (0.00126808% change)
linmin: converged after 6 iterations.
iteration 56: trace = 11.00614512109316 (0.00121791% change)
linmin: converged after 5 iterations.
iteration 57: trace = 11.0060162326265 (0.00117107% change)
linmin: converged after 5 iterations.
iteration 58: trace = 11.00589217219391 (0.00112721% change)
linmin: converged after 6 iterations.
iteration 59: trace = 11.00577269298904 (0.0010856% change)
linmin: converged after 6 iterations.
iteration 60: trace = 11.00565758455856 (0.0010459% change)
linmin: converged after 5 iterations.
iteration 61: trace = 11.00554667335212 (0.00100777% change)
linmin: converged after 6 iterations.
iteration 62: trace = 11.00543981294148 (0.000970973% change)
linmin: converged after 6 iterations.
iteration 63: trace = 11.00533687659922 (0.000935327% change)
linmin: converged after 6 iterations.
iteration 64: trace = 11.00523775065723 (0.000900712% change)
linmin: converged after 6 iterations.
iteration 65: trace = 11.00514233025351 (0.000867049% change)
linmin: converged after 6 iterations.
iteration 66: trace = 11.0050505063284 (0.000834376% change)
linmin: converged after 5 iterations.
iteration 67: trace = 11.00496217168693 (0.000802677% change)
linmin: converged after 6 iterations.
iteration 68: trace = 11.00487721662269 (0.000771974% change)
linmin: converged after 5 iterations.
iteration 69: trace = 11.00479552408501 (0.000742333% change)
resetting CG direction...
large trace change predicted (0.115542%)
linmin: converged after 7 iterations.
iteration 70: trace = 10.99202102759567 (0.116149% change)
linmin: converged after 6 iterations.
iteration 71: trace = 10.99062235322404 (0.0127253% change)
linmin: converged after 5 iterations.
iteration 72: trace = 10.98948431168286 (0.0103552% change)
linmin: converged after 7 iterations.
iteration 73: trace = 10.98818649131381 (0.0118104% change)
linmin: converged after 9 iterations.
iteration 74: trace = 10.98802559286604 (0.0014643% change)
linmin: converged after 5 iterations.
iteration 75: trace = 10.98801515660696 (9.49785e-05% change)
linmin: converged after 8 iterations.
iteration 76: trace = 10.98801412694385 (9.37078e-06% change)
linmin: converged after 4 iterations.
iteration 77: trace = 10.9880140964681 (2.77355e-07% change)
linmin: converged after 4 iterations.
iteration 78: trace = 10.98801409317374 (2.99814e-08% change)
linmin: converged after 4 iterations.
iteration 79: trace = 10.98801409317348 (2.29562e-12% change)
Finished solving for bands 1 to 8 after 79 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: 0.06308817863464355
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
switching to approximate line minimization (decrease time by 52.2968%)
iteration 1: trace = 10.90375999668114 (0.00793331% change)
iteration 2: trace = 10.90359832829955 (0.0014827% change)
iteration 3: trace = 10.90350974601201 (0.000812417% change)
iteration 4: trace = 10.90345236910993 (0.000526226% change)
iteration 5: trace = 10.90344657544687 (5.31361e-05% change)
iteration 6: trace = 10.90344609591974 (4.39794e-06% change)
iteration 7: trace = 10.90344605641481 (3.62316e-07% change)
iteration 8: trace = 10.90344605252904 (3.5638e-08% change)
iteration 9: trace = 10.90344604856771 (3.6331e-08% change)
iteration 10: trace = 10.90344604736139 (1.10636e-08% change)
switching back to exact line minimization
iteration 11: trace = 10.90344604730769 (4.92531e-10% change)
linmin: converged after 2 iterations.
switching to approximate line minimization (decrease time by 77.5811%)
iteration 12: trace = 10.90344604730487 (2.58223e-11% change)
Finished solving for bands 1 to 8 after 12 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: 0.012277603149414062
solve_kpoint (0.15,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
switching to approximate line minimization (decrease time by 54.0984%)
iteration 1: trace = 10.82874319845695 (0.00713667% change)
switching back to exact line minimization
iteration 2: trace = 10.82865181757414 (0.000843877% change)
linmin: converged after 4 iterations.
iteration 3: trace = 10.82863915202617 (0.000116963% change)
linmin: converged after 6 iterations.
switching to approximate line minimization (decrease time by 74.9077%)
iteration 4: trace = 10.8286320186837 (6.58748e-05% change)
iteration 5: trace = 10.82863047572658 (1.42489e-05% change)
iteration 6: trace = 10.82863033668635 (1.28401e-06% change)
switching back to exact line minimization
iteration 7: trace = 10.82863032443882 (1.13103e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.82863032386654 (5.28493e-09% change)
linmin: converged after 2 iterations.
iteration 9: trace = 10.82863032380345 (5.82597e-10% change)
linmin: converged after 2 iterations.
iteration 10: trace = 10.82863032375873 (4.12977e-10% change)
linmin: converged after 2 iterations.
iteration 11: trace = 10.82863032375313 (5.17554e-11% change)
Finished solving for bands 1 to 8 after 11 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: 0.013395071029663086
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.76383414131368 (0.00702671% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.76375283232841 (0.000755393% change)
linmin: converged after 6 iterations.
iteration 3: trace = 10.76374658320572 (5.80571e-05% change)
linmin: converged after 9 iterations.
iteration 4: trace = 10.76374528581546 (1.20533e-05% change)
linmin: converged after 5 iterations.
iteration 5: trace = 10.7637448674038 (3.88723e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.76374482182854 (4.23415e-07% change)
linmin: converged after 2 iterations.
switching to approximate line minimization (decrease time by 57.377%)
iteration 7: trace = 10.76374481723281 (4.26964e-08% change)
iteration 8: trace = 10.76374481699878 (2.17429e-09% change)
iteration 9: trace = 10.76374481699274 (5.60777e-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: 0.009326696395874023
solve_kpoint (0.25,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.70890918978231 (0.00701169% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.70883098425245 (0.000730287% change)
linmin: converged after 4 iterations.
iteration 3: trace = 10.70882611989435 (4.54238e-05% change)
linmin: converged after 2 iterations.
iteration 4: trace = 10.70882574797967 (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 = 10.70882562792912 (1.54008e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.70882562781417 (1.07341e-09% change)
linmin: converged after 2 iterations.
iteration 9: trace = 10.70882562781128 (2.70381e-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: 0.012372255325317383
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
switching to approximate line minimization (decrease time by 77.8481%)
iteration 1: trace = 10.66396644581557 (0.00701938% change)
iteration 2: trace = 10.6638895656612 (0.000720937% change)
switching back to exact line minimization
iteration 3: trace = 10.66388515764271 (4.13359e-05% change)
linmin: converged after 2 iterations.
iteration 4: trace = 10.6638849780867 (1.68378e-06% change)
linmin: converged after 2 iterations.
switching to approximate line minimization (decrease time by 52.1368%)
iteration 5: trace = 10.66388495145546 (2.49733e-07% change)
switching back to exact line minimization
iteration 6: trace = 10.66388494762107 (3.59567e-08% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.6638849471831 (4.10704e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.66388494713198 (4.79342e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 10.66388494713049 (1.39925e-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: 0.004792213439941406
solve_kpoint (0.35,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.6290086001995 (0.00703179% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.6289323953045 (0.000716955% change)
linmin: converged after 4 iterations.
switching to approximate line minimization (decrease time by 55.2294%)
iteration 3: trace = 10.6289281821789 (3.96383e-05% change)
iteration 4: trace = 10.62892805633391 (1.18399e-06% change)
iteration 5: trace = 10.62892804707553 (8.71055e-08% change)
iteration 6: trace = 10.62892804604186 (9.72506e-09% change)
switching back to exact line minimization
iteration 7: trace = 10.62892804597542 (6.25063e-10% change)
linmin: converged after 2 iterations.
switching to approximate line minimization (decrease time by 56.9231%)
iteration 8: trace = 10.62892804596423 (1.05289e-10% change)
switching back to exact line minimization
iteration 9: trace = 10.62892804596352 (6.7017e-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: 0.007232666015625
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.60403759597603 (0.00704272% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.60396176516587 (0.000715115% change)
linmin: converged after 5 iterations.
iteration 3: trace = 10.6039576473093 (3.88332e-05% change)
linmin: converged after 2 iterations.
iteration 4: trace = 10.60395754101094 (1.00244e-06% change)
linmin: converged after 2 iterations.
iteration 5: trace = 10.60395753615697 (4.57751e-08% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.60395753572879 (4.03788e-09% change)
linmin: converged after 2 iterations.
switching to approximate line minimization (decrease time by 52.8369%)
iteration 7: trace = 10.60395753570917 (1.85041e-10% change)
switching back to exact line minimization
iteration 8: trace = 10.6039575357088 (3.46763e-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: 0.008671283721923828
solve_kpoint (0.45,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
switching to approximate line minimization (decrease time by 59.3583%)
iteration 1: trace = 10.58905458874506 (0.00704958% change)
iteration 2: trace = 10.58897895689051 (0.000714248% change)
iteration 3: trace = 10.58897488556353 (3.84487e-05% change)
switching back to exact line minimization
iteration 4: trace = 10.58897478738606 (9.27167e-07% change)
linmin: converged after 2 iterations.
iteration 5: trace = 10.5889747840214 (3.17752e-08% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.58897478378889 (2.19572e-09% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.58897478377234 (1.56298e-10% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.58897478377203 (2.90217e-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: 0.0023276805877685547
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.584060178913 (0.00705116% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.5839846198615 (0.000713897% change)
linmin: converged after 5 iterations.
iteration 3: trace = 10.58398056403728 (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 (2.80563e-08% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.58398046493152 (1.56375e-09% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.58398046491724 (1.34972e-10% change)
linmin: converged after 1 iterations.
iteration 8: trace = 10.58398046491708 (1.46016e-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: 0.0023322105407714844
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0>
Band 2 range: 0.30640302623084353 at Vector3<0.5, 0.0, 0.0> to 0.4687748525866905 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.5466257501317401 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541638 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.7842615905093818 at Vector3<0.5, 0.0, 0.0> to 0.989348615543701 at Vector3<0.0, 0.0, 0.0>
Band 5 range: 1.0240548648147194 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025878 at Vector3<0.5, 0.0, 0.0>
Band 6 range: 1.2666566861855075 at Vector3<0.5, 0.0, 0.0> to 1.4970379696968514 at Vector3<0.0, 0.0, 0.0>
Band 7 range: 1.511580099465272 at Vector3<0.0, 0.0, 0.0> to 1.74883590399105 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.7581683208483645 at Vector3<0.5, 0.0, 0.0> to 1.9999072006797294 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084353), 44.54642128428585%
Gap from band 2 (0.4687748525866905) to band 3 (0.5466257501317401), 15.334026262467672%
Gap from band 3 (0.7316504426541638) to band 4 (0.7842615905093818), 6.941187444158513%
Gap from band 4 (0.989348615543701) to band 5 (1.0240548648147194), 3.447520540179069%
Gap from band 5 (1.2440980042025878) to band 6 (1.2666566861855075), 1.7969642410133506%
Gap from band 6 (1.4970379696968514) to band 7 (1.511580099465272), 0.9666982936435251%
Gap from band 7 (1.74883590399105) to band 8 (1.7581683208483645), 0.5322158890608062%
total elapsed time for run: 0.1729276180267334
done
/tmp/meepNmMUdV/test_bragg_sine-0: 0.18s
/tmp/meepNmMUdV/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: 0.028309345245361328
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.3427419662475586
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.9294734001159668
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.2885713577270508
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.513662576675415
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 1.0815505981445312
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.4760892391204834
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.4049217700958252
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.4118483066558838
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.46816062927246094
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 1.1125476360321045
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.4444608688354492
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.3164396286010742
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.2701141834259033
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.24571752548217773
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.32341599464416504
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.8324851989746094
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 9.493245124816895
done
Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388
D-energy-components:, 16, 8, 0.499991, 0.500009, 0
./tmp/meepNmMUdV/test_compute_field_energy-0: 9.50s
/tmp/meepNmMUdV/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: 0.004934072494506836
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.47707486152648926
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.975670576095581
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.4189002513885498
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.456592321395874
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.43852663040161133
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.5777390003204346
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.28308916091918945
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.5411984920501709
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.3562006950378418
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.2212693691253662
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.18630003929138184
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.19309067726135254
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.22752904891967773
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.29958391189575195
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.37568140029907227
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
.elapsed time for k point: 2.5334632396698
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 9.569546699523926
done
/tmp/meepNmMUdV/test_compute_group_velocity-0: 9.57s
/tmp/meepNmMUdV/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: 0.007738351821899414
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 1.5012540817260742
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 3.3522610664367676
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.7027482986450195
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.6198275089263916
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.6605377197265625
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.6285374164581299
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 1.8959956169128418
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.6701102256774902
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.4604604244232178
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 1.1562578678131104
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 1.2040801048278809
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.14227867126464844
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.3253939151763916
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.6866326332092285
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.9692976474761963
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 1.6655068397521973
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 16.651371955871582
done
Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388
H-energy-components:, 16, 8, 0, 0, 1
Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099
./tmp/meepNmMUdV/test_compute_integrals-0: 16.74s
/tmp/meepNmMUdV/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: 0.17120862007141113
solve_kpoint (0,0.5,0.5):
freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5
Solving for bands 1 to 5...
near maximum in trace
linmin: converged after 12 iterations.
iteration 1: trace = 7.793809388876705 (194.671% change)
linmin: converged after 9 iterations.
iteration 2: trace = 1.602644292878243 (131.777% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.230444137489674 (26.2752% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.145863323821914 (7.11868% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.108732460474549 (3.29379% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.095242895867573 (1.22411% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.086567900224121 (0.795211% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.082571254980189 (0.368501% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.079681031773774 (0.267335% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.077841961858109 (0.17048% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.07658971866119 (0.116248% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.075741300120797 (0.0788372% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.075332005396719 (0.0380549% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.075088183570876 (0.0226767% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.074991682595674 (0.0089765% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.074947859516336 (0.00407668% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.074928276104172 (0.00182182% change)
linmin: converged after 8 iterations.
iteration 18: trace = 1.074920023198569 (0.000767766% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.074915815055658 (0.000391485% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.07491389724555 (0.000178415% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.074912797130553 (0.000102345% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.074912135440155 (6.15576e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.074911682476407 (4.21396e-05% change)
linmin: converged after 4 iterations.
iteration 24: trace = 1.074911185373714 (4.62459e-05% change)
linmin: converged after 5 iterations.
iteration 25: trace = 1.074910350283007 (7.76893e-05% change)
large trace change predicted (0.000205026%)
linmin: converged after 8 iterations.
iteration 26: trace = 1.074908146483127 (0.000205022% change)
large trace change predicted (0.000513655%)
linmin: converged after 7 iterations.
iteration 27: trace = 1.074902628231891 (0.000513371% change)
linmin: converged after 6 iterations.
iteration 28: trace = 1.07489427477573 (0.000777139% change)
linmin: converged after 10 iterations.
iteration 29: trace = 1.074885559294586 (0.000810825% change)
linmin: converged after 7 iterations.
iteration 30: trace = 1.07487875130051 (0.000633371% change)
linmin: converged after 8 iterations.
iteration 31: trace = 1.074871979315249 (0.000630025% change)
linmin: converged after 4 iterations.
iteration 32: trace = 1.074864290605019 (0.000715317% change)
linmin: converged after 6 iterations.
iteration 33: trace = 1.074857335708988 (0.000647051% change)
linmin: converged after 5 iterations.
iteration 34: trace = 1.07485261192785 (0.000439481% change)
linmin: converged after 5 iterations.
iteration 35: trace = 1.074850531096997 (0.000193592% change)
linmin: converged after 4 iterations.
iteration 36: trace = 1.074849707709224 (7.66049e-05% change)
linmin: converged after 4 iterations.
iteration 37: trace = 1.074849401321521 (2.85052e-05% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.074849273653973 (1.18777e-05% change)
linmin: converged after 4 iterations.
iteration 39: trace = 1.074849202665489 (6.60451e-06% change)
linmin: converged after 3 iterations.
iteration 40: trace = 1.074849166432306 (3.371e-06% change)
linmin: converged after 11 iterations.
iteration 41: trace = 1.074849150238602 (1.5066e-06% change)
linmin: converged after 2 iterations.
iteration 42: trace = 1.074849143714862 (6.06945e-07% change)
linmin: converged after 2 iterations.
iteration 43: trace = 1.074849140933157 (2.588e-07% change)
linmin: converged after 2 iterations.
iteration 44: trace = 1.074849139366229 (1.45781e-07% change)
linmin: converged after 17 iterations.
iteration 45: trace = 1.074849138484937 (8.19921e-08% change)
linmin: converged after 17 iterations.
iteration 46: trace = 1.074849138034038 (4.195e-08% change)
linmin: converged after 2 iterations.
iteration 47: trace = 1.074849137805368 (2.12746e-08% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.074849137683473 (1.13407e-08% change)
linmin: converged after 3 iterations.
iteration 49: trace = 1.074849137606193 (7.18978e-09% change)
linmin: converged after 3 iterations.
iteration 50: trace = 1.074849137561191 (4.18686e-09% change)
linmin: converged after 2 iterations.
iteration 51: trace = 1.074849137540538 (1.92152e-09% change)
linmin: converged after 6 iterations.
iteration 52: trace = 1.074849137533198 (6.82837e-10% change)
linmin: converged after 4 iterations.
iteration 53: trace = 1.074849137531017 (2.02905e-10% change)
linmin: converged after 3 iterations.
iteration 54: trace = 1.074849137530236 (7.26549e-11% change)
Finished solving for bands 1 to 5 after 54 iterations.
freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208
elapsed time for k point: 5.99527382850647
solve_kpoint (0,0.525,0.475):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.075858894969229 (0.603183% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.073482649196263 (0.221114% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.07251725089513 (0.0899719% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.072267318321722 (0.0233061% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.072198684351104 (0.00640103% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.072184614527449 (0.00131225% change)
linmin: converged after 6 iterations.
iteration 7: trace = 1.072176813419732 (0.000727593% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.072174588798702 (0.000207487% change)
linmin: converged after 6 iterations.
iteration 9: trace = 1.072173275804353 (0.000122461% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.072172792706117 (4.50579e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.072172507113538 (2.66368e-05% change)
linmin: converged after 7 iterations.
iteration 12: trace = 1.072172093433364 (3.85834e-05% change)
linmin: converged after 15 iterations.
iteration 13: trace = 1.072171277788257 (7.60741e-05% change)
large trace change predicted (0.000180552%)
linmin: converged after 3 iterations.
iteration 14: trace = 1.072169342012669 (0.000180547% change)
linmin: converged after 6 iterations.
iteration 15: trace = 1.072167408073178 (0.000180376% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.07216645616984 (8.87831e-05% change)
linmin: converged after 5 iterations.
iteration 17: trace = 1.072165970163146 (4.53294e-05% change)
linmin: converged after 5 iterations.
iteration 18: trace = 1.072165682211661 (2.6857e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.072165408273896 (2.555e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.072165207651939 (1.87118e-05% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.072165103677908 (9.69758e-06% change)
linmin: converged after 8 iterations.
iteration 22: trace = 1.072165061729308 (3.91251e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.072165050577667 (1.0401e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.072165047945176 (2.4553e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.072165047308083 (5.94212e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.072165047160097 (1.38025e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.072165047103966 (5.23532e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.072165047075589 (2.64667e-09% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.072165047058599 (1.58468e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.072165047048056 (9.83369e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 1.072165047042509 (5.17293e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 1.072165047039761 (2.56327e-10% change)
linmin: converged after 4 iterations.
iteration 33: trace = 1.072165047038644 (1.04233e-10% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.072165047038118 (4.90204e-11% change)
Finished solving for bands 1 to 5 after 34 iterations.
freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208
elapsed time for k point: 3.3733859062194824
solve_kpoint (0,0.55,0.45):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.068440465997937 (0.573523% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.066480807425879 (0.183581% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.065774667496332 (0.0662341% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.06558596722854 (0.017707% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.065530753691639 (0.00518165% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.065516120722214 (0.00137331% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.065506870622606 (0.000868137% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.065504384684949 (0.000233311% change)
linmin: converged after 22 iterations.
iteration 9: trace = 1.065503073447468 (0.000123063% change)
linmin: converged after 2 iterations.
iteration 10: trace = 1.065502572100317 (4.70526e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.065502157705918 (3.88919e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 1.065501551233871 (5.69189e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.065500878587815 (6.31295e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.065500247902232 (5.91915e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.065499909232228 (3.17851e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.065499690824919 (2.04981e-05% change)
linmin: converged after 16 iterations.
iteration 17: trace = 1.065499506928144 (1.72592e-05% change)
linmin: converged after 27 iterations.
iteration 18: trace = 1.065499383728825 (1.15626e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.065499315698607 (6.38482e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.065499294220954 (2.01574e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.065499288548668 (5.32359e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.06549928702242 (1.43243e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.065499286677923 (3.2332e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.065499286595517 (7.73406e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 1.065499286570306 (2.36607e-09% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.065499286559613 (1.00357e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 1.065499286551558 (7.55973e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.065499286546964 (4.31232e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.065499286545303 (1.55817e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 1.065499286544839 (4.35754e-11% change)
Finished solving for bands 1 to 5 after 30 iterations.
freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501
elapsed time for k point: 2.4763171672821045
solve_kpoint (0,0.575,0.425):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.059540504517075 (0.530657% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.057983549181389 (0.147054% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.05750209007881 (0.0455176% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.057358559167011 (0.0135736% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.057314691612308 (0.00414887% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.057300876222962 (0.00130666% change)
linmin: converged after 6 iterations.
iteration 7: trace = 1.057292723706862 (0.000771072% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.057291059116352 (0.000157439% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.057290409956604 (6.13984e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 1.057290221449912 (1.78292e-05% change)
linmin: converged after 6 iterations.
iteration 11: trace = 1.057290112032823 (1.03488e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.057289958938371 (1.44799e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.05728978927021 (1.60475e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.057289654908519 (1.27081e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.05728960466556 (4.75205e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.057289590705058 (1.3204e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.057289585702317 (4.73167e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.057289583780873 (1.81733e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.057289582678029 (1.04309e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.057289582066725 (5.7818e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.05728958183277 (2.21278e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.057289581749872 (7.84065e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 1.057289581718886 (2.93067e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.057289581697567 (2.01636e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.057289581676835 (1.96087e-09% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.057289581662599 (1.34648e-09% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.057289581656746 (5.53573e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.057289581655315 (1.35332e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.057289581654964 (3.32661e-11% change)
Finished solving for bands 1 to 5 after 29 iterations.
freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601
elapsed time for k point: 1.603649377822876
solve_kpoint (0,0.6,0.4):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.051100648812437 (0.506611% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.049691285820777 (0.134174% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.0493148991074 (0.0358633% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.049185433172109 (0.0123389% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.049147911038102 (0.00357637% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.049135854260245 (0.0011492% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.049129471311484 (0.000608402% change)
linmin: converged after 3 iterations.
iteration 8: trace = 1.049128247387941 (0.000116661% change)
linmin: converged after 2 iterations.
iteration 9: trace = 1.049127791569493 (4.34474e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 1.04912767663003 (1.09557e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.049127634485087 (4.01714e-06% change)
linmin: converged after 13 iterations.
iteration 12: trace = 1.049127595483644 (3.71751e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.04912755411629 (3.94302e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.049127517065821 (3.53155e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.049127502744463 (1.36507e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.049127499460314 (3.13036e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.049127498551344 (8.66406e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.049127498234714 (3.01803e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 1.049127497940212 (2.80711e-08% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.049127497468461 (4.4966e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.049127497017248 (4.30084e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.049127496798791 (2.08227e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.049127496735695 (6.01412e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.049127496715389 (1.93557e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.049127496707378 (7.63516e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.04912749670408 (3.1438e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.049127496702448 (1.55582e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.04912749670163 (7.79496e-11% change)
Finished solving for bands 1 to 5 after 28 iterations.
freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014
elapsed time for k point: 1.5754649639129639
solve_kpoint (0,0.625,0.375):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.04345921672305 (0.506828% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.041988342829177 (0.141061% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.041637917013898 (0.0336361% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.041500108180174 (0.0132309% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.041466538801538 (0.00322323% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.04145683290917 (0.000931949% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.041452129686212 (0.000451601% change)
linmin: converged after 3 iterations.
iteration 8: trace = 1.041451113409511 (9.75827e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 1.041450688275424 (4.08213e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 1.041450583335743 (1.00763e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 1.041450551023692 (3.1026e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 1.041450527028449 (2.30402e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.041450494527927 (3.1207e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.041450435394978 (5.67794e-06% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.041450384495814 (4.88733e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.041450353324394 (2.99308e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.041450318415189 (3.35198e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 1.041450255970141 (5.99597e-06% change)
linmin: converged after 6 iterations.
iteration 19: trace = 1.041450142733955 (1.08729e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 1.041450060666066 (7.88016e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.041450032793363 (2.67634e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.041450025149661 (7.33948e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.041450023239027 (1.83459e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.041450022517449 (6.9286e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.041450022090018 (4.10418e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.041450021597004 (4.73393e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.041450020726589 (8.35772e-08% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.041450019065749 (1.59474e-07% change)
large trace change predicted (4.18902e-07%)
linmin: converged after 2 iterations.
iteration 29: trace = 1.041450014703093 (4.18902e-07% change)
large trace change predicted (1.19651e-06%)
linmin: converged after 3 iterations.
iteration 30: trace = 1.041450002242117 (1.1965e-06% change)
large trace change predicted (3.27802e-06%)
linmin: converged after 25 iterations.
iteration 31: trace = 1.041449968104932 (3.27785e-06% change)
large trace change predicted (7.60992e-06%)
linmin: converged after 9 iterations.
iteration 32: trace = 1.041449888871911 (7.60795e-06% change)
linmin: converged after 4 iterations.
iteration 33: trace = 1.041449762143144 (1.21685e-05% change)
linmin: converged after 7 iterations.
iteration 34: trace = 1.041449617732965 (1.38663e-05% change)
linmin: converged after 9 iterations.
iteration 35: trace = 1.041449518800035 (9.49954e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 1.041449483215057 (3.41687e-06% change)
linmin: converged after 5 iterations.
iteration 37: trace = 1.041449473025059 (9.78444e-07% change)
linmin: converged after 11 iterations.
iteration 38: trace = 1.041449470385691 (2.53432e-07% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.041449469588858 (7.65119e-08% change)
linmin: converged after 4 iterations.
iteration 40: trace = 1.041449469287297 (2.89559e-08% change)
linmin: converged after 21 iterations.
iteration 41: trace = 1.041449469189137 (9.42536e-09% change)
linmin: converged after 8 iterations.
iteration 42: trace = 1.041449469160068 (2.79125e-09% change)
linmin: converged after 4 iterations.
iteration 43: trace = 1.041449469152533 (7.23476e-10% change)
linmin: converged after 4 iterations.
iteration 44: trace = 1.04144946915032 (2.12482e-10% change)
linmin: converged after 3 iterations.
iteration 45: trace = 1.041449469149454 (8.31082e-11% change)
Finished solving for bands 1 to 5 after 45 iterations.
freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514
elapsed time for k point: 1.552583932876587
Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762
D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141
Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b01.h5...
D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141
Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515
D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996
Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b02.h5...
D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996
Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616
D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693
Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b03.h5...
D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693
Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915
D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805
Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b04.h5...
D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805
Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979
D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046
Outputting /tmp/meepNmMUdV/test_diamond-0-dpwr.k06.b05.h5...
D-energy-components:, 6, 5, 0.238579, 0.435375, 0.326046
solve_kpoint (0,0.6,0.3):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 1.039665397852365 (2.28714% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.031261690379781 (0.811589% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.027058206448938 (0.408438% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.020314488134805 (0.658768% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.016895432957606 (0.335661% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.013850695556537 (0.299864% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.012826540744309 (0.101067% change)
linmin: converged after 3 iterations.
iteration 8: trace = 1.012456631616534 (0.0365291% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.012302654802857 (0.0152094% change)
linmin: converged after 3 iterations.
iteration 10: trace = 1.012263471429735 (0.00387079% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.012248752514102 (0.00145407% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.012243324581168 (0.000536227% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.012239244019039 (0.000403121% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.012234290090542 (0.000489404% change)
linmin: converged after 6 iterations.
iteration 15: trace = 1.012226177553938 (0.000801452% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.012212339976737 (0.00136705% change)
linmin: converged after 5 iterations.
iteration 17: trace = 1.012198494873001 (0.00136782% change)
linmin: converged after 14 iterations.
iteration 18: trace = 1.01218820498116 (0.00101659% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.012182979191693 (0.000516288% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.012180431890691 (0.000251664% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.012179050262794 (0.0001365% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.012178436829549 (6.06052e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.01217813830648 (2.94931e-05% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.012178008609133 (1.28137e-05% change)
linmin: converged after 13 iterations.
iteration 25: trace = 1.012177948013639 (5.98664e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.012177914414861 (3.31945e-06% change)
linmin: converged after 3 iterations.
iteration 27: trace = 1.01217789939853 (1.48357e-06% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.012177891703018 (7.60293e-07% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.012177888011659 (3.64695e-07% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.012177886482535 (1.51073e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.012177885943437 (5.32612e-08% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.012177885797324 (1.44356e-08% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.012177885757117 (3.97228e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.01217788574262 (1.43227e-09% change)
linmin: converged after 3 iterations.
iteration 35: trace = 1.012177885736502 (6.04461e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.012177885733487 (2.97887e-10% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.012177885731925 (1.54263e-10% change)
linmin: converged after 2 iterations.
iteration 38: trace = 1.012177885730708 (1.2026e-10% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.012177885728812 (1.87345e-10% change)
large trace change predicted (3.79636e-10%)
linmin: converged after 5 iterations.
iteration 40: trace = 1.012177885724976 (3.78967e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.012177885719433 (5.47599e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 1.012177885715903 (3.48803e-10% change)
linmin: converged after 4 iterations.
iteration 43: trace = 1.012177885714417 (1.46826e-10% change)
linmin: converged after 4 iterations.
iteration 44: trace = 1.012177885713604 (8.02686e-11% change)
Finished solving for bands 1 to 5 after 44 iterations.
freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291
elapsed time for k point: 3.1373963356018066
solve_kpoint (0,0.575,0.225):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 0.9915573055187095 (2.26017% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.986660751679959 (0.495047% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.9859151345723789 (0.0755983% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9856473004081825 (0.0271697% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.985572286100927 (0.00761095% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9855592500249424 (0.0013227% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9855531508570572 (0.000618855% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.9855520633528354 (0.000110345% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.9855516310522371 (4.38638e-05% change)
linmin: converged after 22 iterations.
iteration 10: trace = 0.9855514450623342 (1.88717e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.9855513230134106 (1.23838e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.9855511986809358 (1.26155e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.9855510508801276 (1.49968e-05% change)
large trace change predicted (3.62683e-05%)
linmin: converged after 5 iterations.
iteration 14: trace = 0.9855506934426012 (3.62678e-05% change)
large trace change predicted (0.000117861%)
linmin: converged after 5 iterations.
iteration 15: trace = 0.9855495321103869 (0.000117836% change)
large trace change predicted (0.00166435%)
linmin: converged after 6 iterations.
iteration 16: trace = 0.9855348565365381 (0.00148909% change)
near maximum in trace
linmin: converged after 10 iterations.
iteration 17: trace = 0.9854855133241467 (0.00500687% change)
linmin: converged after 6 iterations.
iteration 18: trace = 0.9854692406895214 (0.00165124% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.9854542304755862 (0.00152317% change)
linmin: converged after 8 iterations.
iteration 20: trace = 0.9854392652397095 (0.00151862% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.9854239723783296 (0.00155189% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.9854083684239272 (0.00158349% change)
linmin: converged after 6 iterations.
iteration 23: trace = 0.9853925738606739 (0.00160286% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.9853765724013024 (0.00162388% change)
linmin: converged after 6 iterations.
iteration 25: trace = 0.9853601687710491 (0.00166472% change)
linmin: converged after 6 iterations.
iteration 26: trace = 0.9853431486244694 (0.00172732% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.9853255014309963 (0.00179099% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.9853075618095639 (0.0018207% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.9852899478011016 (0.00178768% change)
linmin: converged after 9 iterations.
iteration 30: trace = 0.9852733012228144 (0.00168952% change)
linmin: converged after 4 iterations.
iteration 31: trace = 0.9852580327820775 (0.00154968% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.9852442535801191 (0.00139855% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.9852318618943778 (0.00125774% change)
linmin: converged after 6 iterations.
iteration 34: trace = 0.9852206614348566 (0.00113684% change)
linmin: converged after 5 iterations.
iteration 35: trace = 0.9852104433963962 (0.00103714% change)
linmin: converged after 4 iterations.
iteration 36: trace = 0.9852010266450926 (0.000955816% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.9851922707824456 (0.000888743% change)
linmin: converged after 4 iterations.
iteration 38: trace = 0.9851840753707002 (0.000831863% change)
linmin: converged after 4 iterations.
iteration 39: trace = 0.9851763731873757 (0.000781804% change)
linmin: converged after 5 iterations.
iteration 40: trace = 0.9851691215599174 (0.000736077% change)
linmin: converged after 4 iterations.
iteration 41: trace = 0.9851622938373381 (0.000693053% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.985155872077998 (0.00065185% change)
linmin: converged after 4 iterations.
iteration 43: trace = 0.9851498414783594 (0.000612149% change)
linmin: converged after 7 iterations.
iteration 44: trace = 0.9851441866707311 (0.000574006% change)
linmin: converged after 5 iterations.
iteration 45: trace = 0.985138889774108 (0.000537679% change)
linmin: converged after 5 iterations.
iteration 46: trace = 0.985133929523912 (0.000503509% change)
linmin: converged after 6 iterations.
iteration 47: trace = 0.9851292818557378 (0.000471781% change)
linmin: converged after 7 iterations.
iteration 48: trace = 0.9851249205027524 (0.00044272% change)
linmin: converged after 6 iterations.
iteration 49: trace = 0.9851208179683515 (0.000416449% change)
linmin: converged after 5 iterations.
iteration 50: trace = 0.9851169466019023 (0.000392985% change)
linmin: converged after 5 iterations.
iteration 51: trace = 0.9851132794205391 (0.000372259% change)
linmin: converged after 6 iterations.
iteration 52: trace = 0.985109790832833 (0.000354131% change)
linmin: converged after 7 iterations.
iteration 53: trace = 0.98510645710795 (0.000338412% change)
linmin: converged after 5 iterations.
iteration 54: trace = 0.9851032567005502 (0.00032488% change)
linmin: converged after 8 iterations.
iteration 55: trace = 0.9851001704698975 (0.000313291% change)
linmin: converged after 6 iterations.
iteration 56: trace = 0.9850971817835199 (0.00030339% change)
linmin: converged after 6 iterations.
iteration 57: trace = 0.9850942764892118 (0.000294925% change)
linmin: converged after 6 iterations.
iteration 58: trace = 0.985091442876421 (0.000287649% change)
linmin: converged after 7 iterations.
iteration 59: trace = 0.9850886715782785 (0.000281324% change)
linmin: converged after 5 iterations.
iteration 60: trace = 0.9850859553938563 (0.00027573% change)
linmin: converged after 6 iterations.
iteration 61: trace = 0.9850832891120949 (0.000270665% change)
linmin: converged after 5 iterations.
iteration 62: trace = 0.9850806692965066 (0.000265949% change)
linmin: converged after 3 iterations.
iteration 63: trace = 0.9850780940264909 (0.000261428% change)
linmin: converged after 9 iterations.
iteration 64: trace = 0.9850755626342055 (0.000256974% change)
linmin: converged after 5 iterations.
iteration 65: trace = 0.9850730754278573 (0.000252489% change)
linmin: converged after 5 iterations.
iteration 66: trace = 0.9850706334157524 (0.000247902% change)
linmin: converged after 5 iterations.
iteration 67: trace = 0.9850682380418601 (0.000243168% change)
linmin: converged after 6 iterations.
iteration 68: trace = 0.9850658909459264 (0.000238268% change)
linmin: converged after 5 iterations.
iteration 69: trace = 0.9850635937430814 (0.000233203% change)
resetting CG direction...
large trace change predicted (0.0412899%)
linmin: converged after 4 iterations.
iteration 70: trace = 0.984656320909412 (0.0413534% change)
linmin: converged after 4 iterations.
iteration 71: trace = 0.9844601746300234 (0.0199223% change)
linmin: converged after 6 iterations.
iteration 72: trace = 0.9843700916746623 (0.00915091% change)
linmin: converged after 4 iterations.
iteration 73: trace = 0.9843454551516437 (0.0025028% change)
linmin: converged after 5 iterations.
iteration 74: trace = 0.9843309741606924 (0.00147114% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.9843269359841216 (0.000410247% change)
linmin: converged after 3 iterations.
iteration 76: trace = 0.9843259254957233 (0.000102658% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.984325260278889 (6.7581e-05% change)
linmin: converged after 16 iterations.
iteration 78: trace = 0.9843249585574556 (3.06526e-05% change)
linmin: converged after 3 iterations.
iteration 79: trace = 0.9843248270013296 (1.33651e-05% change)
linmin: converged after 2 iterations.
iteration 80: trace = 0.9843247642150001 (6.37862e-06% change)
linmin: converged after 21 iterations.
iteration 81: trace = 0.9843247334132978 (3.12922e-06% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.9843247239626907 (9.60111e-07% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.9843247200126927 (4.0129e-07% change)
linmin: converged after 5 iterations.
iteration 84: trace = 0.9843247177619137 (2.28662e-07% change)
linmin: converged after 13 iterations.
iteration 85: trace = 0.9843247140405498 (3.78063e-07% change)
large trace change predicted (8.17085e-07%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.9843247059977581 (8.17087e-07% change)
large trace change predicted (1.83763e-06%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.9843246879096608 (1.83761e-06% change)
linmin: converged after 4 iterations.
iteration 88: trace = 0.9843246566924536 (3.17143e-06% change)
linmin: converged after 3 iterations.
iteration 89: trace = 0.9843246205594831 (3.67084e-06% change)
linmin: converged after 4 iterations.
iteration 90: trace = 0.9843246064914508 (1.42921e-06% change)
linmin: converged after 4 iterations.
iteration 91: trace = 0.9843246017419645 (4.82512e-07% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.9843246002812466 (1.48398e-07% change)
linmin: converged after 3 iterations.
iteration 93: trace = 0.9843245999240308 (3.62904e-08% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.9843245998040704 (1.21871e-08% change)
linmin: converged after 5 iterations.
iteration 95: trace = 0.9843245997561378 (4.86959e-09% change)
linmin: converged after 6 iterations.
iteration 96: trace = 0.9843245997431125 (1.32328e-09% change)
linmin: converged after 3 iterations.
iteration 97: trace = 0.984324599740466 (2.68858e-10% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.9843245997396692 (8.09496e-11% change)
Finished solving for bands 1 to 5 after 98 iterations.
freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723
elapsed time for k point: 2.9785852432250977
solve_kpoint (0,0.55,0.15):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 0.9646769162886698 (2.39738% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.9596027655434911 (0.527382% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.958516571280313 (0.113256% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9579432893126026 (0.0598272% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.9577534782664552 (0.0198164% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9577044743066758 (0.00511668% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9576786087074998 (0.00270083% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.9576698780972583 (0.000911647% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.957662913242139 (0.000727274% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.9576596029390384 (0.000345665% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.9576578418226341 (0.000183898% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.9576568119836578 (0.000107537% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.9576563729700537 (4.58425e-05% change)
linmin: converged after 6 iterations.
iteration 14: trace = 0.957656162942213 (2.19314e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.9576560823091441 (8.41984e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.957656002308769 (8.35377e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.9576558845376733 (1.22979e-05% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.9576557606444888 (1.29371e-05% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.957655689870502 (7.39034e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.9576556668427234 (2.4046e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.9576556603473596 (6.78257e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.9576556586034578 (1.82101e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.9576556582296438 (3.90343e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.9576556581383974 (9.52811e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.9576556581169067 (2.24409e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.9576556581121116 (5.00707e-10% change)
linmin: converged after 2 iterations.
iteration 27: trace = 0.9576556581107267 (1.44613e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.9576556581103903 (3.51272e-11% change)
Finished solving for bands 1 to 5 after 28 iterations.
freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575
elapsed time for k point: 0.9408271312713623
solve_kpoint (0,0.525,0.075):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 0.9479336872233943 (2.3896% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.9430867597604793 (0.512626% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.9419818739511361 (0.117225% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9413709083778428 (0.0648806% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.9411784896466663 (0.0204424% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9411437673700729 (0.0036893% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9411282197641757 (0.001652% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.9411228844443945 (0.000566908% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.9411177224094729 (0.000548499% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.9411142194220592 (0.000372216% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.9411125302487315 (0.000179487% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.9411116700161734 (9.1406e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.9411114151349418 (2.7083e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.9411113125578108 (1.08996e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.9411112840457022 (3.02962e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.9411112731924944 (1.15323e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 0.9411112675855424 (5.9578e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.9411112644312221 (3.3517e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.9411112620729449 (2.50584e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.9411112600571752 (2.1419e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.9411112586302788 (1.51618e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.941111257989665 (6.80699e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.9411112578179182 (1.82494e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 0.9411112577748086 (4.5807e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 0.9411112577644269 (1.10313e-09% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.9411112577622895 (2.27115e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.9411112577617218 (6.03295e-11% change)
Finished solving for bands 1 to 5 after 27 iterations.
freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057
elapsed time for k point: 1.0957539081573486
solve_kpoint (0,0.5,0):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 0.9431496225335017 (2.3985% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.9380796204968815 (0.539009% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.9367721035397474 (0.13948% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9359917825716 (0.0833336% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.9357711657243475 (0.0235732% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9357390464145767 (0.00343245% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9357282065214827 (0.00115844% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.9357260906567758 (0.00022612% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.9357251462394733 (0.000100929% change)
linmin: converged after 2 iterations.
iteration 10: trace = 0.9357245153926672 (6.7418e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.9357241186857073 (4.23957e-05% change)
linmin: converged after 18 iterations.
iteration 12: trace = 0.9357237683382228 (3.74413e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.9357236170895995 (1.61638e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.9357235495974199 (7.21283e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.9357235309444201 (1.99343e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.9357235256265997 (5.68311e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.9357235236195184 (2.14495e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.9357235229374905 (7.28878e-08% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.9357235227208447 (2.31528e-08% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.9357235226594689 (6.55918e-09% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.9357235226426152 (1.80115e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.9357235226371334 (5.85828e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.9357235226350291 (2.24887e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.9357235226340188 (1.0797e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 0.9357235226332389 (8.33507e-11% change)
Finished solving for bands 1 to 5 after 25 iterations.
freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558
elapsed time for k point: 1.2495498657226562
solve_kpoint (0,0.4,0):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 0.9531656172624499 (2.95521% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.9465651869298157 (0.694881% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.9460975825933158 (0.0494123% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9458503027170211 (0.0261402% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.9458090123515988 (0.00436552% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9457956329512955 (0.00141461% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9457917144910544 (0.000414304% change)
linmin: converged after 37 iterations.
iteration 8: trace = 0.9457908288630485 (9.36388e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.9457904833984333 (3.65265e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.9457903738934199 (1.15781e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.945790328795686 (4.76826e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.9457903098667285 (2.00139e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.9457903008332738 (9.55122e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.9457902938373115 (7.39695e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.945790288982615 (5.13295e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.9457902856358905 (3.53855e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.9457902842649593 (1.44951e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.9457902838788883 (4.08199e-08% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.9457902837821124 (1.02323e-08% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.9457902837614034 (2.1896e-09% change)
linmin: converged after 7 iterations.
iteration 21: trace = 0.945790283757144 (4.5035e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.9457902837561423 (1.05917e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 0.9457902837559192 (2.35828e-11% change)
Finished solving for bands 1 to 5 after 23 iterations.
freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351
elapsed time for k point: 1.5397648811340332
solve_kpoint (0,0.3,0):
Solving for bands 1 to 5...
linmin: converged after 6 iterations.
iteration 1: trace = 0.9838330564807534 (2.82864% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.9767698261611588 (0.720516% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.9759908342476455 (0.0797837% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.9754521141780657 (0.0552125% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.9753439239667533 (0.0110919% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.9752879087036219 (0.00574329% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.9752720379978204 (0.0016273% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.9752675452794952 (0.000460664% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.9752661173619801 (0.000146413% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.9752657982803837 (3.27174e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.9752656737712277 (1.27667e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.9752655986569779 (7.70193e-06% change)
linmin: converged after 6 iterations.
iteration 13: trace = 0.9752655199382627 (8.07152e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.9752654586051022 (6.28887e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.9752654363667195 (2.28024e-06% change)
linmin: converged after 12 iterations.
iteration 16: trace = 0.9752654288851387 (7.67133e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.9752654270617316 (1.86965e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.9752654266193401 (4.53611e-08% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.9752654264923921 (1.30168e-08% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.975265426457352 (3.59288e-09% change)
linmin: converged after 7 iterations.
iteration 21: trace = 0.975265426446871 (1.07469e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.9752654264434989 (3.4576e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.9752654264424229 (1.10332e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 0.9752654264419838 (4.50229e-11% change)
Finished solving for bands 1 to 5 after 24 iterations.
freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633
elapsed time for k point: 0.7310717105865479
solve_kpoint (0,0.2,0):
Solving for bands 1 to 5...
linmin: converged after 7 iterations.
iteration 1: trace = 1.031310457525055 (2.74381% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.023001395900786 (0.808939% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.020944596104007 (0.201258% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.019196682336762 (0.171352% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.01871807777816 (0.04697% change)
linmin: converged after 3 iterations.
iteration 6: trace = 1.018308274746532 (0.0402354% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.018176585208275 (0.012933% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.01812238158558 (0.00532374% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.01810814150193 (0.00139867% change)
linmin: converged after 3 iterations.
iteration 10: trace = 1.018104688377168 (0.000339171% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.018103724639177 (9.46601e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 1.018103471304866 (2.4883e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.018103337799626 (1.31131e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.018103254441728 (8.18757e-06% change)
linmin: converged after 6 iterations.
iteration 15: trace = 1.018103204661021 (4.88955e-06% change)
linmin: converged after 3 iterations.
iteration 16: trace = 1.018103175566668 (2.8577e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.018103161363211 (1.39509e-06% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.018103152357125 (8.84595e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.018103147246921 (5.01934e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.018103144530307 (2.66831e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 1.018103143433505 (1.0773e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 1.018103143020115 (4.0604e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.01810314286882 (1.48605e-08% change)
linmin: converged after 3 iterations.
iteration 24: trace = 1.018103142826692 (4.13788e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.018103142813699 (1.27623e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.018103142809129 (4.48821e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 1.018103142807085 (2.00845e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.018103142806048 (1.01851e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.018103142805605 (4.34884e-11% change)
Finished solving for bands 1 to 5 after 29 iterations.
freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923
elapsed time for k point: 0.7284655570983887
solve_kpoint (0,0.1,0):
Solving for bands 1 to 5...
linmin: converged after 9 iterations.
iteration 1: trace = 1.077079219748032 (2.88237% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.066262027914341 (1.00938% change)
linmin: converged after 6 iterations.
iteration 3: trace = 1.05982426496183 (0.605598% change)
linmin: converged after 6 iterations.
iteration 4: trace = 1.056454446691284 (0.318466% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.055117395208745 (0.12664% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.053973327355114 (0.108489% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.053442526154095 (0.0503746% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.053206381323702 (0.022419% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.053116219819068 (0.00856103% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.053071769632646 (0.00422091% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.053056103822104 (0.00148764% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.053047222792956 (0.000843361% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.053042139517095 (0.000482722% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.05303794112489 (0.000398693% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.053035343144199 (0.000246713% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.053034079936007 (0.000119959% change)
linmin: converged after 6 iterations.
iteration 17: trace = 1.053033595937297 (4.59623e-05% change)
linmin: converged after 5 iterations.
iteration 18: trace = 1.053033362151883 (2.22011e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 1.053033220626464 (1.34398e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.053033136182073 (8.01916e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.053033092857904 (4.11423e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.053033069956103 (2.17484e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.053033056567706 (1.27141e-06% change)
linmin: converged after 3 iterations.
iteration 24: trace = 1.053033050087025 (6.1543e-07% change)
linmin: converged after 6 iterations.
iteration 25: trace = 1.053033046930003 (2.99803e-07% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.053033045492662 (1.36495e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.05303304471339 (7.40026e-08% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.053033044195642 (4.91673e-08% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.053033043811545 (3.64754e-08% change)
linmin: converged after 18 iterations.
iteration 30: trace = 1.053033043579941 (2.1994e-08% change)
linmin: converged after 17 iterations.
iteration 31: trace = 1.05303304346969 (1.04698e-08% change)
linmin: converged after 7 iterations.
iteration 32: trace = 1.053033043429304 (3.83516e-09% change)
linmin: converged after 3 iterations.
iteration 33: trace = 1.053033043415642 (1.29743e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.053033043410175 (5.19142e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 1.053033043407271 (2.75744e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.053033043404647 (2.49218e-10% change)
linmin: converged after 3 iterations.
iteration 37: trace = 1.053033043402362 (2.17019e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 1.053033043401237 (1.06823e-10% change)
linmin: converged after 6 iterations.
iteration 39: trace = 1.053033043400841 (3.75756e-11% change)
Finished solving for bands 1 to 5 after 39 iterations.
freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052
elapsed time for k point: 1.1658077239990234
solve_kpoint (0,0,0):
Solving for bands 3 to 5...
linmin: converged after 7 iterations.
iteration 1: trace = 1.125418509203134 (26.786% change)
linmin: converged after 6 iterations.
iteration 2: trace = 1.086199374689317 (3.54665% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.077433840608125 (0.810261% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.07091642240455 (0.606737% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.067955177231412 (0.276898% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.066404296467735 (0.145325% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.065591405105872 (0.0762564% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.065169288341139 (0.0396212% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.064947504768367 (0.0208236% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.064821092340382 (0.011871% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.064775779630062 (0.00425552% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.064759862322818 (0.00149491% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.064754343598674 (0.000518308% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.064752586160355 (0.000165056% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.064751934186257 (6.12325e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.064751716375276 (2.04565e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.064751641473007 (7.03472e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.064751608763357 (3.07205e-06% change)
linmin: converged after 4 iterations.
iteration 19: trace = 1.064751594444111 (1.34484e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.064751588378962 (5.6963e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.064751585065905 (3.11158e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.064751582775833 (2.1508e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.064751581427303 (1.26652e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.064751580863343 (5.29663e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.064751580697916 (1.55367e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.064751580656117 (3.92568e-09% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.064751580642666 (1.26326e-09% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.06475158063819 (4.20419e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.064751580636454 (1.63038e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 1.06475158063571 (6.98405e-11% change)
Finished solving for bands 3 to 5 after 30 iterations.
freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839
elapsed time for k point: 0.495819091796875
solve_kpoint (0,0.1,0.1):
Solving for bands 1 to 5...
linmin: converged after 9 iterations.
iteration 1: trace = 1.083139123993515 (4.15252% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.067759464050549 (1.43007% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.058743055847529 (0.848004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.055821359692894 (0.27634% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.055194292753252 (0.059409% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.054515707102698 (0.0643298% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.054199358517806 (0.0300039% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.054015026128711 (0.0174871% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.05394564271052 (0.00658299% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.053916462348827 (0.00276872% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.053905508373105 (0.00103936% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.053902318616983 (0.000302661% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.053901410289624 (8.61871e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.053901190385521 (2.08657e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.053901094722908 (9.077e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.053901042329604 (4.97137e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.05390101638759 (2.46152e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.05390100229774 (1.33692e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.053900994619986 (7.28508e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.053900989320632 (5.02832e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.053900987123137 (2.08511e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.053900986524416 (5.681e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 1.053900986366487 (1.49852e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.053900986325057 (3.93111e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.053900986310452 (1.38576e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.053900986303702 (6.4045e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.053900986300588 (2.95469e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.053900986298909 (1.59365e-10% change)
linmin: converged after 5 iterations.
iteration 29: trace = 1.053900986298104 (7.63534e-11% change)
Finished solving for bands 1 to 5 after 29 iterations.
freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581
elapsed time for k point: 0.8659794330596924
solve_kpoint (0,0.2,0.2):
Solving for bands 1 to 5...
linmin: converged after 7 iterations.
iteration 1: trace = 1.065595398928579 (3.90048% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.055450127301308 (0.956629% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.052399474005145 (0.289456% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.051047423636178 (0.128556% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.050891451863719 (0.0148408% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.050820039910739 (0.0067956% change)
linmin: converged after 6 iterations.
iteration 7: trace = 1.050776389407954 (0.00415403% change)
linmin: converged after 3 iterations.
iteration 8: trace = 1.050735518700163 (0.00388965% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.050712406629326 (0.00219963% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.050703645182168 (0.000833861% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.050700527947597 (0.000296681% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.050699532774884 (9.47152e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.050699177150715 (3.38464e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.050699067583426 (1.0428e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.050699026853782 (3.87643e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.050699005022336 (2.0778e-06% change)
linmin: converged after 6 iterations.
iteration 17: trace = 1.050698989966912 (1.4329e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.050698977063517 (1.22808e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.050698967444911 (9.15448e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.050698960362368 (6.74079e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.050698956757338 (3.43108e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.050698955164582 (1.5159e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.05069895459442 (5.4265e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.050698954368865 (2.14672e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.050698954208974 (1.52175e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.0506989540695 (1.32744e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.050698953980486 (8.47188e-09% change)
linmin: converged after 8 iterations.
iteration 28: trace = 1.050698953945816 (3.29971e-09% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.050698953935616 (9.70788e-10% change)
linmin: converged after 9 iterations.
iteration 30: trace = 1.050698953931686 (3.74055e-10% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.050698953929973 (1.6302e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.050698953929234 (7.03096e-11% change)
Finished solving for bands 1 to 5 after 32 iterations.
freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064
elapsed time for k point: 1.388958215713501
solve_kpoint (0,0.3,0.3):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 1.088279540873555 (4.02105% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.078010312383157 (0.948094% change)
linmin: converged after 3 iterations.
iteration 3: trace = 1.076219990626864 (0.166215% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.075124540387689 (0.101839% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.074888810319138 (0.0219282% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.074611210358774 (0.0258293% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.074337620664561 (0.0254627% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.074133138557719 (0.0190351% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.074051063054055 (0.00764138% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.074029420989965 (0.00201501% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.074020142121589 (0.000863934% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.074016815860834 (0.000309702% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.074015086574427 (0.000161011% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.074014221795601 (8.05183e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.074013421483325 (7.4516e-05% change)
large trace change predicted (0.000149807%)
linmin: converged after 5 iterations.
iteration 16: trace = 1.074011812469476 (0.000149813% change)
large trace change predicted (0.000490882%)
linmin: converged after 3 iterations.
iteration 17: trace = 1.074006542454387 (0.000490686% change)
large trace change predicted (0.00906198%)
linmin: converged after 6 iterations.
iteration 18: trace = 1.07394170104624 (0.00603752% change)
large trace change predicted (0.0314784%)
linmin: converged after 9 iterations.
iteration 19: trace = 1.073871054646401 (0.00657845% change)
linmin: converged after 7 iterations.
iteration 20: trace = 1.073836865047133 (0.00318382% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.073810051814073 (0.00249699% change)
linmin: converged after 4 iterations.
iteration 22: trace = 1.073786930253258 (0.00215325% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.073765951854511 (0.0019537% change)
linmin: converged after 5 iterations.
iteration 24: trace = 1.073746099951677 (0.00184883% change)
linmin: converged after 4 iterations.
iteration 25: trace = 1.073726549677794 (0.00182077% change)
linmin: converged after 6 iterations.
iteration 26: trace = 1.073706652691414 (0.00185309% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.073686048053079 (0.00191904% change)
linmin: converged after 5 iterations.
iteration 28: trace = 1.07366480750308 (0.0019783% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.073643487581963 (0.00198573% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.073622933034567 (0.00191449% change)
linmin: converged after 4 iterations.
iteration 31: trace = 1.073603845331304 (0.00177789% change)
linmin: converged after 4 iterations.
iteration 32: trace = 1.073586422580545 (0.00162284% change)
linmin: converged after 4 iterations.
iteration 33: trace = 1.07357033760148 (0.00149826% change)
linmin: converged after 4 iterations.
iteration 34: trace = 1.0735549642185 (0.001432% change)
linmin: converged after 4 iterations.
iteration 35: trace = 1.073539629114168 (0.00142845% change)
linmin: converged after 6 iterations.
iteration 36: trace = 1.073523800559739 (0.00147444% change)
linmin: converged after 4 iterations.
iteration 37: trace = 1.073507219134764 (0.00154459% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.073489949996989 (0.00160868% change)
linmin: converged after 4 iterations.
iteration 39: trace = 1.073472300712646 (0.00164412% change)
linmin: converged after 4 iterations.
iteration 40: trace = 1.07345460810302 (0.00164818% change)
linmin: converged after 4 iterations.
iteration 41: trace = 1.073437013911646 (0.00163904% change)
linmin: converged after 4 iterations.
iteration 42: trace = 1.07341936402553 (0.00164425% change)
linmin: converged after 4 iterations.
iteration 43: trace = 1.073401253273459 (0.00168722% change)
linmin: converged after 4 iterations.
iteration 44: trace = 1.073382150275805 (0.00177969% change)
linmin: converged after 4 iterations.
iteration 45: trace = 1.0733615442773 (0.00191974% change)
linmin: converged after 4 iterations.
iteration 46: trace = 1.073339086872033 (0.00209227% change)
linmin: converged after 4 iterations.
iteration 47: trace = 1.073314699872937 (0.00227209% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.073288605871434 (0.00243119% change)
linmin: converged after 5 iterations.
iteration 49: trace = 1.073261255734322 (0.00254829% change)
linmin: converged after 4 iterations.
iteration 50: trace = 1.073233183632931 (0.00261562% change)
linmin: converged after 4 iterations.
iteration 51: trace = 1.073204865371742 (0.00263863% change)
linmin: converged after 4 iterations.
iteration 52: trace = 1.073176643586995 (0.00262971% change)
linmin: converged after 4 iterations.
iteration 53: trace = 1.07314873077758 (0.00260099% change)
linmin: converged after 4 iterations.
iteration 54: trace = 1.073121259226807 (0.00255993% change)
linmin: converged after 4 iterations.
iteration 55: trace = 1.073094338585364 (0.00250866% change)
linmin: converged after 4 iterations.
iteration 56: trace = 1.073068095041238 (0.00244563% change)
linmin: converged after 4 iterations.
iteration 57: trace = 1.073042682948385 (0.0023682% change)
linmin: converged after 4 iterations.
iteration 58: trace = 1.073018272551503 (0.0022749% change)
linmin: converged after 4 iterations.
iteration 59: trace = 1.072995024616579 (0.00216662% change)
linmin: converged after 5 iterations.
iteration 60: trace = 1.072973064496317 (0.00204664% change)
linmin: converged after 4 iterations.
iteration 61: trace = 1.072952465224757 (0.00191985% change)
linmin: converged after 4 iterations.
iteration 62: trace = 1.072933243663793 (0.00179148% change)
linmin: converged after 4 iterations.
iteration 63: trace = 1.072915368241642 (0.00166605% change)
linmin: converged after 6 iterations.
iteration 64: trace = 1.072898773490337 (0.00154671% change)
linmin: converged after 4 iterations.
iteration 65: trace = 1.07288337591944 (0.00143515% change)
linmin: converged after 5 iterations.
iteration 66: trace = 1.072869086998702 (0.00133183% change)
linmin: converged after 5 iterations.
iteration 67: trace = 1.072855821021881 (0.0012365% change)
linmin: converged after 4 iterations.
iteration 68: trace = 1.072843497553276 (0.00114867% change)
linmin: converged after 3 iterations.
iteration 69: trace = 1.072832039610928 (0.001068% change)
resetting CG direction...
large trace change predicted (0.0590982%)
linmin: converged after 3 iterations.
iteration 70: trace = 1.072198123251259 (0.0591056% change)
linmin: converged after 15 iterations.
iteration 71: trace = 1.07134711810174 (0.0794017% change)
linmin: converged after 5 iterations.
iteration 72: trace = 1.070541462572527 (0.0752285% change)
linmin: converged after 5 iterations.
iteration 73: trace = 1.069893830362633 (0.0605141% change)
linmin: converged after 4 iterations.
iteration 74: trace = 1.069675879029691 (0.0203734% change)
linmin: converged after 4 iterations.
iteration 75: trace = 1.069604565043349 (0.0066671% change)
linmin: converged after 4 iterations.
iteration 76: trace = 1.069582041212672 (0.00210583% change)
linmin: converged after 4 iterations.
iteration 77: trace = 1.069571765034014 (0.00096077% change)
linmin: converged after 3 iterations.
iteration 78: trace = 1.069569886834663 (0.000175603% change)
linmin: converged after 6 iterations.
iteration 79: trace = 1.069568934567785 (8.90327e-05% change)
linmin: converged after 3 iterations.
iteration 80: trace = 1.069568397381151 (5.02246e-05% change)
linmin: converged after 3 iterations.
iteration 81: trace = 1.069567984274982 (3.86236e-05% change)
linmin: converged after 4 iterations.
iteration 82: trace = 1.069567784172004 (1.87088e-05% change)
linmin: converged after 5 iterations.
iteration 83: trace = 1.069567559606812 (2.09959e-05% change)
linmin: converged after 13 iterations.
iteration 84: trace = 1.069567395325959 (1.53596e-05% change)
linmin: converged after 3 iterations.
iteration 85: trace = 1.069567279689911 (1.08115e-05% change)
linmin: converged after 3 iterations.
iteration 86: trace = 1.069567202427513 (7.22371e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 1.069567123735025 (7.35741e-06% change)
linmin: converged after 3 iterations.
iteration 88: trace = 1.069566990371064 (1.2469e-05% change)
linmin: converged after 6 iterations.
iteration 89: trace = 1.069566806433226 (1.71974e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 1.069566611503603 (1.82251e-05% change)
linmin: converged after 3 iterations.
iteration 91: trace = 1.06956625836616 (3.30169e-05% change)
linmin: converged after 7 iterations.
iteration 92: trace = 1.069565649806643 (5.68978e-05% change)
large trace change predicted (0.000165075%)
linmin: converged after 4 iterations.
iteration 93: trace = 1.069563887330695 (0.000164784% change)
large trace change predicted (0.000584339%)
linmin: converged after 5 iterations.
iteration 94: trace = 1.069557815156878 (0.000567726% change)
large trace change predicted (0.0061294%)
linmin: converged after 7 iterations.
iteration 95: trace = 1.069531839644754 (0.00242865% change)
linmin: converged after 9 iterations.
iteration 96: trace = 1.069511580257867 (0.00189425% change)
linmin: converged after 9 iterations.
iteration 97: trace = 1.069496500451968 (0.00140998% change)
linmin: converged after 6 iterations.
iteration 98: trace = 1.069483717677052 (0.00119522% change)
linmin: converged after 7 iterations.
iteration 99: trace = 1.069471278223669 (0.00116313% change)
linmin: converged after 6 iterations.
iteration 100: trace = 1.06945923417496 (0.00112617% change)
linmin: converged after 6 iterations.
iteration 101: trace = 1.069448851327664 (0.000970855% change)
linmin: converged after 7 iterations.
iteration 102: trace = 1.069440423052233 (0.000788098% change)
linmin: converged after 8 iterations.
iteration 103: trace = 1.06943341629119 (0.000655182% change)
linmin: converged after 6 iterations.
iteration 104: trace = 1.069427351691511 (0.000567087% change)
linmin: converged after 8 iterations.
iteration 105: trace = 1.069421991950771 (0.00050118% change)
linmin: converged after 6 iterations.
iteration 106: trace = 1.069417237263017 (0.000444605% change)
linmin: converged after 5 iterations.
iteration 107: trace = 1.069413021661628 (0.000394197% change)
linmin: converged after 7 iterations.
iteration 108: trace = 1.069409271797955 (0.000350648% change)
linmin: converged after 8 iterations.
iteration 109: trace = 1.069405907926083 (0.000314555% change)
linmin: converged after 7 iterations.
iteration 110: trace = 1.069402856330468 (0.000285355% change)
linmin: converged after 6 iterations.
iteration 111: trace = 1.069400057690149 (0.000261702% change)
linmin: converged after 7 iterations.
iteration 112: trace = 1.069397467746005 (0.000242187% change)
linmin: converged after 4 iterations.
iteration 113: trace = 1.069395055147854 (0.000225604% change)
linmin: converged after 5 iterations.
iteration 114: trace = 1.069392795548008 (0.000211297% change)
linmin: converged after 6 iterations.
iteration 115: trace = 1.069390667986788 (0.000198951% change)
linmin: converged after 5 iterations.
iteration 116: trace = 1.069388651793125 (0.000188537% change)
linmin: converged after 5 iterations.
iteration 117: trace = 1.069386725485558 (0.000180132% change)
linmin: converged after 6 iterations.
iteration 118: trace = 1.069384867350977 (0.000173757% change)
linmin: converged after 6 iterations.
iteration 119: trace = 1.069383056347029 (0.00016935% change)
linmin: converged after 5 iterations.
iteration 120: trace = 1.069381273352052 (0.000166731% change)
linmin: converged after 6 iterations.
iteration 121: trace = 1.069379502575999 (0.000165589% change)
linmin: converged after 8 iterations.
iteration 122: trace = 1.069377732475111 (0.000165526% change)
linmin: converged after 9 iterations.
iteration 123: trace = 1.069375956296534 (0.000166095% change)
linmin: converged after 6 iterations.
iteration 124: trace = 1.069374172381471 (0.000166818% change)
linmin: converged after 6 iterations.
iteration 125: trace = 1.069372383543138 (0.000167279% change)
linmin: converged after 6 iterations.
iteration 126: trace = 1.069370596350157 (0.000167126% change)
linmin: converged after 6 iterations.
iteration 127: trace = 1.069368819614125 (0.000166148% change)
linmin: converged after 5 iterations.
iteration 128: trace = 1.069367063038153 (0.000164263% change)
linmin: converged after 6 iterations.
iteration 129: trace = 1.069365335794284 (0.00016152% change)
linmin: converged after 5 iterations.
iteration 130: trace = 1.069363645584814 (0.000158057% change)
linmin: converged after 5 iterations.
iteration 131: trace = 1.069361997825419 (0.000154088% change)
linmin: converged after 8 iterations.
iteration 132: trace = 1.069360395640989 (0.000149826% change)
linmin: converged after 9 iterations.
iteration 133: trace = 1.069358839926056 (0.000145481% change)
linmin: converged after 10 iterations.
iteration 134: trace = 1.069357329779302 (0.00014122% change)
linmin: converged after 7 iterations.
iteration 135: trace = 1.069355862957836 (0.000137169% change)
linmin: converged after 5 iterations.
iteration 136: trace = 1.069354436480057 (0.000133396% change)
linmin: converged after 8 iterations.
iteration 137: trace = 1.069353047073695 (0.00012993% change)
linmin: converged after 5 iterations.
iteration 138: trace = 1.069351691598919 (0.000126757% change)
linmin: converged after 5 iterations.
iteration 139: trace = 1.069350367291781 (0.000123842% change)
resetting CG direction...
large trace change predicted (0.0145455%)
linmin: converged after 4 iterations.
iteration 140: trace = 1.069194672200936 (0.0145608% change)
linmin: converged after 3 iterations.
iteration 141: trace = 1.069117227180259 (0.00724357% change)
linmin: converged after 5 iterations.
iteration 142: trace = 1.069075433321993 (0.00390927% change)
linmin: converged after 3 iterations.
iteration 143: trace = 1.069028117437097 (0.00442597% change)
linmin: converged after 4 iterations.
iteration 144: trace = 1.068963768497982 (0.00601957% change)
linmin: converged after 5 iterations.
iteration 145: trace = 1.068914038466646 (0.00465228% change)
linmin: converged after 5 iterations.
iteration 146: trace = 1.068856701497523 (0.00536418% change)
linmin: converged after 6 iterations.
iteration 147: trace = 1.068800655831527 (0.00524365% change)
linmin: converged after 5 iterations.
iteration 148: trace = 1.068757368858115 (0.00405013% change)
linmin: converged after 5 iterations.
iteration 149: trace = 1.06871741209543 (0.00373869% change)
linmin: converged after 5 iterations.
iteration 150: trace = 1.06867892647319 (0.00360117% change)
linmin: converged after 5 iterations.
iteration 151: trace = 1.068654685720936 (0.00226832% change)
linmin: converged after 5 iterations.
iteration 152: trace = 1.068642738115688 (0.00111801% change)
linmin: converged after 5 iterations.
iteration 153: trace = 1.068637175261485 (0.000520555% change)
linmin: converged after 9 iterations.
iteration 154: trace = 1.068633793641155 (0.000316443% change)
linmin: converged after 5 iterations.
iteration 155: trace = 1.068631061597097 (0.000255658% change)
linmin: converged after 5 iterations.
iteration 156: trace = 1.068628610214573 (0.000229395% change)
linmin: converged after 5 iterations.
iteration 157: trace = 1.068627264705593 (0.00012591% change)
linmin: converged after 4 iterations.
iteration 158: trace = 1.068626757565474 (4.74572e-05% change)
linmin: converged after 6 iterations.
iteration 159: trace = 1.068626630672032 (1.18744e-05% change)
linmin: converged after 8 iterations.
iteration 160: trace = 1.068626598168096 (3.04166e-06% change)
linmin: converged after 4 iterations.
iteration 161: trace = 1.06862658350739 (1.37192e-06% change)
linmin: converged after 4 iterations.
iteration 162: trace = 1.068626572358528 (1.04329e-06% change)
linmin: converged after 5 iterations.
iteration 163: trace = 1.06862656282348 (8.92271e-07% change)
linmin: converged after 5 iterations.
iteration 164: trace = 1.06862655553583 (6.81964e-07% change)
linmin: converged after 5 iterations.
iteration 165: trace = 1.068626551007521 (4.2375e-07% change)
linmin: converged after 4 iterations.
iteration 166: trace = 1.068626547254211 (3.51227e-07% change)
linmin: converged after 5 iterations.
iteration 167: trace = 1.068626544996587 (2.11264e-07% change)
linmin: converged after 5 iterations.
iteration 168: trace = 1.068626543620605 (1.28762e-07% change)
linmin: converged after 7 iterations.
iteration 169: trace = 1.068626542445714 (1.09944e-07% change)
linmin: converged after 9 iterations.
iteration 170: trace = 1.06862654076488 (1.57289e-07% change)
large trace change predicted (3.14977e-07%)
linmin: converged after 24 iterations.
iteration 171: trace = 1.068626537399951 (3.14884e-07% change)
linmin: converged after 4 iterations.
iteration 172: trace = 1.068626533718157 (3.44535e-07% change)
linmin: converged after 4 iterations.
iteration 173: trace = 1.068626531658123 (1.92774e-07% change)
linmin: converged after 6 iterations.
iteration 174: trace = 1.068626530812102 (7.91691e-08% change)
linmin: converged after 12 iterations.
iteration 175: trace = 1.068626530492099 (2.99452e-08% change)
linmin: converged after 9 iterations.
iteration 176: trace = 1.068626530327507 (1.54022e-08% change)
linmin: converged after 4 iterations.
iteration 177: trace = 1.068626530253259 (6.94804e-09% change)
linmin: converged after 7 iterations.
iteration 178: trace = 1.068626530158072 (8.90737e-09% change)
large trace change predicted (2.1289e-08%)
linmin: converged after 3 iterations.
iteration 179: trace = 1.068626529930754 (2.1272e-08% change)
linmin: converged after 15 iterations.
iteration 180: trace = 1.068626529548319 (3.57875e-08% change)
linmin: converged after 6 iterations.
iteration 181: trace = 1.068626528964314 (5.46501e-08% change)
linmin: converged after 3 iterations.
iteration 182: trace = 1.068626528417228 (5.11952e-08% change)
linmin: converged after 4 iterations.
iteration 183: trace = 1.068626527716322 (6.55895e-08% change)
linmin: converged after 4 iterations.
iteration 184: trace = 1.06862652689721 (7.66509e-08% change)
linmin: converged after 3 iterations.
iteration 185: trace = 1.068626526186427 (6.65138e-08% change)
linmin: converged after 15 iterations.
iteration 186: trace = 1.068626525702615 (4.52742e-08% change)
linmin: converged after 3 iterations.
iteration 187: trace = 1.068626525445696 (2.4042e-08% change)
linmin: converged after 3 iterations.
iteration 188: trace = 1.068626525378945 (6.24643e-09% change)
linmin: converged after 3 iterations.
iteration 189: trace = 1.068626525351855 (2.53498e-09% change)
linmin: converged after 3 iterations.
iteration 190: trace = 1.068626525338215 (1.27644e-09% change)
linmin: converged after 4 iterations.
iteration 191: trace = 1.068626525323278 (1.39781e-09% change)
linmin: converged after 3 iterations.
iteration 192: trace = 1.068626525309726 (1.26813e-09% change)
linmin: converged after 4 iterations.
iteration 193: trace = 1.068626525303432 (5.88946e-10% change)
linmin: converged after 3 iterations.
iteration 194: trace = 1.068626525299555 (3.62876e-10% change)
linmin: converged after 4 iterations.
iteration 195: trace = 1.068626525299044 (4.77698e-11% change)
Finished solving for bands 1 to 5 after 195 iterations.
freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915
elapsed time for k point: 7.825493574142456
solve_kpoint (0,0.4,0.4):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.096763739714435 (4.83164% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.082691277220374 (1.29137% change)
linmin: converged after 3 iterations.
iteration 3: trace = 1.07995725828511 (0.25284% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.077647734912909 (0.214082% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.076735252410888 (0.0847094% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.075213698395311 (0.141412% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.074492218822376 (0.0671236% change)
linmin: converged after 3 iterations.
iteration 8: trace = 1.07421373947036 (0.0259207% change)
linmin: converged after 3 iterations.
iteration 9: trace = 1.074138188248215 (0.00703341% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.074123932233192 (0.00132721% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.074120393731372 (0.000329432% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.07411960845723 (7.31086e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.074119350200927 (2.40435e-05% change)
linmin: converged after 13 iterations.
iteration 14: trace = 1.074119193441737 (1.45942e-05% change)
linmin: converged after 27 iterations.
iteration 15: trace = 1.074119086974316 (9.91207e-06% change)
linmin: converged after 18 iterations.
iteration 16: trace = 1.074118998457055 (8.24092e-06% change)
linmin: converged after 5 iterations.
iteration 17: trace = 1.074118951618513 (4.36065e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.074118930564162 (1.96015e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.074118922698096 (7.32327e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.074118920434621 (2.10728e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 1.074118919547732 (8.2569e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.074118918877308 (6.24162e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.074118918119876 (7.05165e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.074118917268323 (7.92793e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.074118916472489 (7.40917e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.074118915070731 (1.30503e-07% change)
large trace change predicted (3.47228e-07%)
linmin: converged after 2 iterations.
iteration 27: trace = 1.074118911341084 (3.47229e-07% change)
large trace change predicted (1.06055e-06%)
linmin: converged after 2 iterations.
iteration 28: trace = 1.074118899949536 (1.06055e-06% change)
large trace change predicted (3.74502e-06%)
linmin: converged after 3 iterations.
iteration 29: trace = 1.074118859725554 (3.74484e-06% change)
large trace change predicted (2.30121e-05%)
linmin: converged after 5 iterations.
iteration 30: trace = 1.074118613577724 (2.29163e-05% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 31: trace = 1.074108654723984 (0.000927169% change)
linmin: converged after 8 iterations.
iteration 32: trace = 1.074107964424338 (6.42672e-05% change)
linmin: converged after 7 iterations.
iteration 33: trace = 1.074107272412818 (6.44266e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 1.074106571471413 (6.52581e-05% change)
linmin: converged after 8 iterations.
iteration 35: trace = 1.074105852707999 (6.69174e-05% change)
linmin: converged after 6 iterations.
iteration 36: trace = 1.074105109461725 (6.91968e-05% change)
linmin: converged after 6 iterations.
iteration 37: trace = 1.0741043385726 (7.17704e-05% change)
linmin: converged after 6 iterations.
iteration 38: trace = 1.074103540892071 (7.42647e-05% change)
linmin: converged after 6 iterations.
iteration 39: trace = 1.074102721116606 (7.63219e-05% change)
linmin: converged after 6 iterations.
iteration 40: trace = 1.074101886794994 (7.76762e-05% change)
linmin: converged after 6 iterations.
iteration 41: trace = 1.074101046787423 (7.82056e-05% change)
linmin: converged after 6 iterations.
iteration 42: trace = 1.074100209873489 (7.79176e-05% change)
linmin: converged after 6 iterations.
iteration 43: trace = 1.074099384060022 (7.68842e-05% change)
linmin: converged after 6 iterations.
iteration 44: trace = 1.074098576549985 (7.51802e-05% change)
linmin: converged after 4 iterations.
iteration 45: trace = 1.074097793906102 (7.28652e-05% change)
linmin: converged after 6 iterations.
iteration 46: trace = 1.074097041990257 (7.00044e-05% change)
linmin: converged after 6 iterations.
iteration 47: trace = 1.074096325593049 (6.66976e-05% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.074095647953676 (6.30893e-05% change)
linmin: converged after 5 iterations.
iteration 49: trace = 1.07409501044025 (5.93535e-05% change)
linmin: converged after 4 iterations.
iteration 50: trace = 1.074094412542477 (5.56653e-05% change)
linmin: converged after 6 iterations.
iteration 51: trace = 1.074093852160968 (5.21725e-05% change)
linmin: converged after 5 iterations.
iteration 52: trace = 1.074093326068317 (4.89801e-05% change)
linmin: converged after 5 iterations.
iteration 53: trace = 1.07409283040426 (4.61472e-05% change)
linmin: converged after 6 iterations.
iteration 54: trace = 1.074092361107019 (4.36924e-05% change)
linmin: converged after 5 iterations.
iteration 55: trace = 1.074091914239057 (4.16042e-05% change)
linmin: converged after 6 iterations.
iteration 56: trace = 1.074091486203431 (3.98509e-05% change)
linmin: converged after 11 iterations.
iteration 57: trace = 1.074091073868095 (3.83892e-05% change)
linmin: converged after 4 iterations.
iteration 58: trace = 1.074090674622949 (3.71705e-05% change)
linmin: converged after 5 iterations.
iteration 59: trace = 1.074090286370427 (3.61471e-05% change)
linmin: converged after 5 iterations.
iteration 60: trace = 1.074089907515096 (3.52722e-05% change)
linmin: converged after 5 iterations.
iteration 61: trace = 1.074089536896985 (3.45053e-05% change)
linmin: converged after 6 iterations.
iteration 62: trace = 1.074089173728303 (3.38118e-05% change)
linmin: converged after 6 iterations.
iteration 63: trace = 1.074088817519624 (3.31638e-05% change)
linmin: converged after 6 iterations.
iteration 64: trace = 1.074088468010824 (3.254e-05% change)
linmin: converged after 6 iterations.
iteration 65: trace = 1.074088125087727 (3.19269e-05% change)
linmin: converged after 5 iterations.
iteration 66: trace = 1.074087788736017 (3.13151e-05% change)
linmin: converged after 6 iterations.
iteration 67: trace = 1.074087458983267 (3.07007e-05% change)
linmin: converged after 5 iterations.
iteration 68: trace = 1.074087135872057 (3.00824e-05% change)
linmin: converged after 9 iterations.
iteration 69: trace = 1.074086819424619 (2.9462e-05% change)
resetting CG direction...
large trace change predicted (0.00552481%)
linmin: converged after 5 iterations.
iteration 70: trace = 1.07402747251898 (0.00552549% change)
linmin: converged after 5 iterations.
iteration 71: trace = 1.07398995041125 (0.00349365% change)
linmin: converged after 12 iterations.
iteration 72: trace = 1.073965817824879 (0.00224703% change)
linmin: converged after 5 iterations.
iteration 73: trace = 1.073953308448255 (0.00116479% change)
linmin: converged after 4 iterations.
iteration 74: trace = 1.073950635285913 (0.000248909% change)
linmin: converged after 3 iterations.
iteration 75: trace = 1.073949455745053 (0.000109832% change)
linmin: converged after 3 iterations.
iteration 76: trace = 1.07394884485721 (5.68824e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 1.073948012638046 (7.74915e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 1.073947354176622 (6.13122e-05% change)
linmin: converged after 8 iterations.
iteration 79: trace = 1.073947064791119 (2.6946e-05% change)
linmin: converged after 5 iterations.
iteration 80: trace = 1.073946950419187 (1.06497e-05% change)
linmin: converged after 2 iterations.
iteration 81: trace = 1.073946903710584 (4.34925e-06% change)
linmin: converged after 4 iterations.
iteration 82: trace = 1.073946874503159 (2.71963e-06% change)
linmin: converged after 3 iterations.
iteration 83: trace = 1.073946857634503 (1.57072e-06% change)
linmin: converged after 2 iterations.
iteration 84: trace = 1.073946849036259 (8.00621e-07% change)
linmin: converged after 4 iterations.
iteration 85: trace = 1.073946844676049 (4.05999e-07% change)
linmin: converged after 3 iterations.
iteration 86: trace = 1.073946841259404 (3.18139e-07% change)
linmin: converged after 4 iterations.
iteration 87: trace = 1.073946837676255 (3.33643e-07% change)
large trace change predicted (7.24233e-07%)
linmin: converged after 2 iterations.
iteration 88: trace = 1.073946829898374 (7.24233e-07% change)
large trace change predicted (1.47626e-06%)
linmin: converged after 4 iterations.
iteration 89: trace = 1.073946814044193 (1.47625e-06% change)
large trace change predicted (4.35024e-06%)
linmin: converged after 5 iterations.
iteration 90: trace = 1.073946767325633 (4.35017e-06% change)
linmin: converged after 4 iterations.
iteration 91: trace = 1.073946679145813 (8.21082e-06% change)
linmin: converged after 13 iterations.
iteration 92: trace = 1.07394653002807 (1.3885e-05% change)
linmin: converged after 3 iterations.
iteration 93: trace = 1.073946367807594 (1.51051e-05% change)
linmin: converged after 18 iterations.
iteration 94: trace = 1.073946258178413 (1.02081e-05% change)
linmin: converged after 8 iterations.
iteration 95: trace = 1.073946152215409 (9.8667e-06% change)
linmin: converged after 5 iterations.
iteration 96: trace = 1.073946055252216 (9.02868e-06% change)
linmin: converged after 6 iterations.
iteration 97: trace = 1.073945953332349 (9.49022e-06% change)
linmin: converged after 3 iterations.
iteration 98: trace = 1.073945869470469 (7.80876e-06% change)
linmin: converged after 5 iterations.
iteration 99: trace = 1.073945843524601 (2.41594e-06% change)
linmin: converged after 4 iterations.
iteration 100: trace = 1.073945837385287 (5.7166e-07% change)
linmin: converged after 12 iterations.
iteration 101: trace = 1.073945836402898 (9.14748e-08% change)
linmin: converged after 4 iterations.
iteration 102: trace = 1.073945836058465 (3.20717e-08% change)
linmin: converged after 24 iterations.
iteration 103: trace = 1.073945835877968 (1.68069e-08% change)
linmin: converged after 19 iterations.
iteration 104: trace = 1.073945835763839 (1.06271e-08% change)
linmin: converged after 6 iterations.
iteration 105: trace = 1.073945835716336 (4.42319e-09% change)
linmin: converged after 4 iterations.
iteration 106: trace = 1.073945835701639 (1.36856e-09% change)
linmin: converged after 4 iterations.
iteration 107: trace = 1.073945835696723 (4.57737e-10% change)
linmin: converged after 3 iterations.
iteration 108: trace = 1.07394583569429 (2.26522e-10% change)
linmin: converged after 4 iterations.
iteration 109: trace = 1.073945835692681 (1.49795e-10% change)
linmin: converged after 2 iterations.
iteration 110: trace = 1.07394583569145 (1.14687e-10% change)
linmin: converged after 9 iterations.
iteration 111: trace = 1.073945835690716 (6.83328e-11% change)
Finished solving for bands 1 to 5 after 111 iterations.
freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786
elapsed time for k point: 8.722448825836182
solve_kpoint (0,0.5,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.093863490315585 (5.33663% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.078476777229324 (1.4166% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.076328696786045 (0.199376% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.075208255370176 (0.104153% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.075035171401586 (0.016099% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.074955695702394 (0.00739312% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.074896058822981 (0.005548% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.074864563442296 (0.00293013% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.074852338420812 (0.00113736% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.074850012959476 (0.000216352% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.074849426045968 (5.46042e-05% change)
linmin: converged after 6 iterations.
iteration 12: trace = 1.074849271426672 (1.43852e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.074849229309185 (3.91846e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.074849215182561 (1.31429e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.074849211845827 (3.10437e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.07484921073603 (1.03251e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.074849209962486 (7.19677e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.074849209021715 (8.75259e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 1.0748492077767 (1.15832e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.074849206719139 (9.83915e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.074849205577648 (1.062e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.074849203573379 (1.8647e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 1.074849200248625 (3.09323e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.074849195285907 (4.61713e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.074849189786891 (5.11608e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.074849181228871 (7.96207e-07% change)
linmin: converged after 30 iterations.
iteration 27: trace = 1.074849167025669 (1.32141e-06% change)
linmin: converged after 19 iterations.
iteration 28: trace = 1.074849153567851 (1.25207e-06% change)
linmin: converged after 13 iterations.
iteration 29: trace = 1.074849145742755 (7.28018e-07% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.074849142292309 (3.21017e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 1.074849140247114 (1.90277e-07% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.074849138714339 (1.42604e-07% change)
linmin: converged after 3 iterations.
iteration 33: trace = 1.074849137906284 (7.51785e-08% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.074849137608583 (2.7697e-08% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.074849137533781 (6.9593e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.074849137516844 (1.57571e-09% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.074849137512895 (3.67427e-10% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.074849137511867 (9.56888e-11% change)
Finished solving for bands 1 to 5 after 38 iterations.
freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208
elapsed time for k point: 0.9689586162567139
solve_kpoint (0.05,0.55,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.078756946613439 (0.894499% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.07523533785071 (0.326984% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.073638839444135 (0.148589% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.073077825211994 (0.0522672% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.072780827452753 (0.027681% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.072586993301281 (0.01807% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.072447691969381 (0.0129883% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.072393266694636 (0.00507499% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.072363251702914 (0.00279892% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.072354631926145 (0.000803815% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.072350311747915 (0.000402869% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.072348215294225 (0.000195501% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.072347360457624 (7.97164e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.072346902144856 (4.27392e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.072346623506356 (2.5984e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.072346159297625 (4.32891e-05% change)
large trace change predicted (0.000101681%)
linmin: converged after 5 iterations.
iteration 17: trace = 1.07234506891175 (0.000101682% change)
linmin: converged after 5 iterations.
iteration 18: trace = 1.072342995678537 (0.000193337% change)
linmin: converged after 8 iterations.
iteration 19: trace = 1.072339903847402 (0.000288325% change)
linmin: converged after 26 iterations.
iteration 20: trace = 1.072336586525834 (0.000309354% change)
linmin: converged after 6 iterations.
iteration 21: trace = 1.072331067862006 (0.00051464% change)
linmin: converged after 7 iterations.
iteration 22: trace = 1.072320822253961 (0.000955457% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.072308842032951 (0.00111723% change)
linmin: converged after 4 iterations.
iteration 24: trace = 1.072300271287299 (0.000799283% change)
linmin: converged after 4 iterations.
iteration 25: trace = 1.072297170565976 (0.000289166% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.072296311606951 (8.01046e-05% change)
linmin: converged after 3 iterations.
iteration 27: trace = 1.072296078653387 (2.17247e-05% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.072296014168804 (6.01369e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 1.072295982383637 (2.96422e-06% change)
linmin: converged after 5 iterations.
iteration 30: trace = 1.072295961925382 (1.90789e-06% change)
linmin: converged after 6 iterations.
iteration 31: trace = 1.072295950654617 (1.05109e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.072295945181011 (5.10457e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 1.072295942506064 (2.4946e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.072295940839723 (1.55399e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.072295940001731 (7.81494e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.07229593966661 (3.12526e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 1.072295939534591 (1.23118e-08% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.072295939489802 (4.17697e-09% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.072295939475881 (1.29825e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 1.072295939471383 (4.19449e-10% change)
linmin: converged after 5 iterations.
iteration 41: trace = 1.07229593946885 (2.36189e-10% change)
linmin: converged after 2 iterations.
iteration 42: trace = 1.072295939464572 (3.98949e-10% change)
large trace change predicted (1.11338e-09%)
linmin: converged after 2 iterations.
iteration 43: trace = 1.072295939452633 (1.1134e-09% change)
large trace change predicted (2.51388e-09%)
linmin: converged after 4 iterations.
iteration 44: trace = 1.072295939425684 (2.51324e-09% change)
linmin: converged after 2 iterations.
iteration 45: trace = 1.072295939386053 (3.69592e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 1.072295939340147 (4.28109e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 1.072295939279214 (5.68252e-09% change)
linmin: converged after 2 iterations.
iteration 48: trace = 1.072295939194631 (7.88797e-09% change)
linmin: converged after 4 iterations.
iteration 49: trace = 1.07229593910162 (8.67406e-09% change)
linmin: converged after 2 iterations.
iteration 50: trace = 1.072295939034323 (6.2759e-09% change)
linmin: converged after 2 iterations.
iteration 51: trace = 1.072295939004894 (2.74454e-09% change)
linmin: converged after 2 iterations.
iteration 52: trace = 1.072295938995438 (8.81804e-10% change)
linmin: converged after 6 iterations.
iteration 53: trace = 1.072295938992633 (2.61659e-10% change)
linmin: converged after 3 iterations.
iteration 54: trace = 1.072295938991746 (8.26846e-11% change)
Finished solving for bands 1 to 5 after 54 iterations.
freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972
elapsed time for k point: 1.2444629669189453
solve_kpoint (0.1,0.6,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.07340121849938 (0.802321% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.070911358178133 (0.232229% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.069941901350898 (0.0905673% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.0695535124672 (0.0363066% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.06933108728176 (0.0207982% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.069162619782233 (0.0157557% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.069053139982171 (0.0102403% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.069016273147439 (0.00344861% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.068993109651599 (0.00216683% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.068984047122787 (0.000847767% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.068978800309365 (0.000490824% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.068976671400489 (0.000199154% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.068976061675592 (5.70382e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.068975835503293 (2.11578e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.068975752616362 (7.75386e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.068975691300797 (5.73592e-06% change)
linmin: converged after 5 iterations.
iteration 17: trace = 1.068975611585373 (7.45718e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 1.068975504394309 (1.00275e-05% change)
linmin: converged after 9 iterations.
iteration 19: trace = 1.068975371946318 (1.23902e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.068975238400299 (1.24929e-05% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.068975009008141 (2.14591e-05% change)
large trace change predicted (5.31033e-05%)
linmin: converged after 5 iterations.
iteration 22: trace = 1.068974441379314 (5.31003e-05% change)
large trace change predicted (0.000113315%)
linmin: converged after 3 iterations.
iteration 23: trace = 1.068973230352277 (0.000113289% change)
linmin: converged after 5 iterations.
iteration 24: trace = 1.068971612251912 (0.00015137% change)
linmin: converged after 5 iterations.
iteration 25: trace = 1.068970673722007 (8.77975e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 1.068970296061966 (3.53293e-05% change)
linmin: converged after 6 iterations.
iteration 27: trace = 1.068970144206145 (1.42058e-05% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.06897006461748 (7.44536e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.068970000607662 (5.98799e-06% change)
linmin: converged after 10 iterations.
iteration 30: trace = 1.068969962460882 (3.56855e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.068969945599884 (1.57731e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.068969938463743 (6.67572e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.068969934705124 (3.51611e-07% change)
linmin: converged after 4 iterations.
iteration 34: trace = 1.06896993232558 (2.22602e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.068969931392088 (8.73263e-08% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.068969931132226 (2.43096e-08% change)
linmin: converged after 15 iterations.
iteration 37: trace = 1.068969931062233 (6.54774e-09% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.068969931043938 (1.71147e-09% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.068969931038531 (5.05773e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 1.068969931036688 (1.72365e-10% change)
linmin: converged after 2 iterations.
iteration 41: trace = 1.06896993103593 (7.09773e-11% change)
Finished solving for bands 1 to 5 after 41 iterations.
freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207
elapsed time for k point: 1.4891629219055176
solve_kpoint (0.15,0.65,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.072100871029735 (0.745891% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.069747625144617 (0.21974% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.068703623571927 (0.0976409% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.067875371541936 (0.0775307% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.067259421656347 (0.0576966% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.066744514099866 (0.0482574% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.066542840017269 (0.0189074% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.066494016821789 (0.00457781% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.066464593732184 (0.0027589% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.066451587638911 (0.00121956% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.066443671997326 (0.000742244% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.066440721217859 (0.000276694% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.066439849484829 (8.17423e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.066439375223672 (4.44714e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.066439009920906 (3.42544e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.066438547198133 (4.33895e-05% change)
linmin: converged after 24 iterations.
iteration 17: trace = 1.066438083375613 (4.34927e-05% change)
linmin: converged after 7 iterations.
iteration 18: trace = 1.066437660398672 (3.96626e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.066437091982246 (5.33005e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.066436003245269 (0.000102091% change)
large trace change predicted (0.000276028%)
linmin: converged after 3 iterations.
iteration 21: trace = 1.066433061003442 (0.000275895% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.066427934766565 (0.000480691% change)
linmin: converged after 30 iterations.
iteration 23: trace = 1.066424326691444 (0.000338333% change)
linmin: converged after 7 iterations.
iteration 24: trace = 1.066422960618152 (0.000128099% change)
linmin: converged after 5 iterations.
iteration 25: trace = 1.066422499825244 (4.32092e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 1.066422186811657 (2.93517e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 1.066421890528896 (2.77829e-05% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.066421685763468 (1.92012e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 1.06642159054965 (8.92835e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.066421557709045 (3.07951e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.066421543618768 (1.32127e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.066421537040984 (6.16809e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.066421533956409 (2.89245e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.066421532545984 (1.32258e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.066421532098628 (4.19493e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.066421531981 (1.10302e-08% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.066421531947815 (3.11181e-09% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.066421531934532 (1.24558e-09% change)
linmin: converged after 3 iterations.
iteration 39: trace = 1.066421531923697 (1.01596e-09% change)
linmin: converged after 6 iterations.
iteration 40: trace = 1.066421531913855 (9.22953e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.066421531908571 (4.95468e-10% change)
linmin: converged after 6 iterations.
iteration 42: trace = 1.066421531906717 (1.7388e-10% change)
linmin: converged after 5 iterations.
iteration 43: trace = 1.066421531906148 (5.32821e-11% change)
Finished solving for bands 1 to 5 after 43 iterations.
freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859
elapsed time for k point: 1.375396490097046
solve_kpoint (0.2,0.7,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.069785773604965 (0.695776% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.067527570080581 (0.211312% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.066558947074816 (0.0907764% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.065685964052161 (0.0818839% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.065178396938137 (0.0476396% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.064838989622728 (0.031869% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.064736335051292 (0.00964085% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.064718062406794 (0.00171618% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.064709443696535 (0.000809486% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.06470578433643 (0.000343696% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.064703064048174 (0.000255497% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.064701652735597 (0.000132555% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.064701182191319 (4.4195e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.064700943606627 (2.24086e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.064700802696047 (1.32348e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.064700694081259 (1.02014e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.064700636609229 (5.39795e-06% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.064700617118281 (1.83065e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.064700610394363 (6.31531e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.064700607865834 (2.37487e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 1.064700605636452 (2.0939e-07% change)
large trace change predicted (4.79935e-07%)
linmin: converged after 2 iterations.
iteration 22: trace = 1.064700600526578 (4.79935e-07% change)
large trace change predicted (1.42418e-06%)
linmin: converged after 4 iterations.
iteration 23: trace = 1.064700585363382 (1.42417e-06% change)
large trace change predicted (2.97957e-06%)
linmin: converged after 4 iterations.
iteration 24: trace = 1.064700553640431 (2.97952e-06% change)
linmin: converged after 18 iterations.
iteration 25: trace = 1.064700526786951 (2.52216e-06% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.064700508731266 (1.69585e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.064700490073484 (1.7524e-06% change)
linmin: converged after 7 iterations.
iteration 28: trace = 1.064700466708247 (2.19454e-06% change)
linmin: converged after 23 iterations.
iteration 29: trace = 1.06470044669203 (1.87999e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.064700438159573 (8.01395e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.064700434712854 (3.23727e-07% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.064700432935417 (1.66942e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.064700431874727 (9.96233e-08% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.064700431313316 (5.27295e-08% change)
linmin: converged after 3 iterations.
iteration 35: trace = 1.064700431122882 (1.78862e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.064700431069202 (5.04181e-09% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.064700431049594 (1.84165e-09% change)
linmin: converged after 3 iterations.
iteration 38: trace = 1.064700431037441 (1.14146e-09% change)
linmin: converged after 5 iterations.
iteration 39: trace = 1.064700431026589 (1.01925e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 1.064700431020416 (5.79772e-10% change)
linmin: converged after 2 iterations.
iteration 41: trace = 1.064700431018628 (1.67884e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 1.064700431018217 (3.86445e-11% change)
Finished solving for bands 1 to 5 after 42 iterations.
freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019
elapsed time for k point: 1.4350700378417969
solve_kpoint (0.25,0.75,0.5):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.071021350256857 (0.625217% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.06900862671002 (0.188102% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.068158244974187 (0.0795803% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.067197593269694 (0.0899758% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.066544127996658 (0.0612506% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.065958659752063 (0.054909% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.065750318744432 (0.0195469% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.06567551063221 (0.00701954% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.065611170315328 (0.0060377% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.065570512596607 (0.00381551% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.065544557365696 (0.00243584% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.065536856809688 (0.00072269% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.065534821687861 (0.000190995% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.065533865889772 (8.97013e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.065533310009858 (5.21692e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 1.065532898642685 (3.86067e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.065532683276369 (2.02121e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.065532562796837 (1.1307e-05% change)
linmin: converged after 4 iterations.
iteration 19: trace = 1.065532411951178 (1.41568e-05% change)
large trace change predicted (2.83328e-05%)
linmin: converged after 5 iterations.
iteration 20: trace = 1.065532110051103 (2.83333e-05% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.065531537832729 (5.37026e-05% change)
linmin: converged after 6 iterations.
iteration 22: trace = 1.06553095730435 (5.44825e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.065530503254396 (4.26126e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 1.06552984864104 (6.14355e-05% change)
large trace change predicted (0.000173392%)
linmin: converged after 4 iterations.
iteration 25: trace = 1.065528002343178 (0.000173275% change)
large trace change predicted (0.000909711%)
linmin: converged after 4 iterations.
iteration 26: trace = 1.065518574731398 (0.000884787% change)
large trace change predicted (0.00393925%)
linmin: converged after 7 iterations.
iteration 27: trace = 1.065486645935353 (0.00299659% change)
linmin: converged after 9 iterations.
iteration 28: trace = 1.065452554316755 (0.00319968% change)
linmin: converged after 6 iterations.
iteration 29: trace = 1.065430694066201 (0.00205175% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.065419520878208 (0.00104871% change)
linmin: converged after 4 iterations.
iteration 31: trace = 1.065412511944419 (0.000657859% change)
linmin: converged after 5 iterations.
iteration 32: trace = 1.06540762492902 (0.000458698% change)
linmin: converged after 4 iterations.
iteration 33: trace = 1.065405106257257 (0.000236405% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.065404017240623 (0.000102216% change)
linmin: converged after 3 iterations.
iteration 35: trace = 1.065403611191832 (3.81122e-05% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.065403441828811 (1.58966e-05% change)
linmin: converged after 3 iterations.
iteration 37: trace = 1.065403323932342 (1.10659e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 1.065403209115777 (1.07768e-05% change)
linmin: converged after 3 iterations.
iteration 39: trace = 1.065403107365718 (9.55038e-06% change)
linmin: converged after 3 iterations.
iteration 40: trace = 1.065403054387964 (4.97255e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 1.06540303601522 (1.72449e-06% change)
linmin: converged after 3 iterations.
iteration 42: trace = 1.065403029075787 (6.51344e-07% change)
linmin: converged after 3 iterations.
iteration 43: trace = 1.065403024644487 (4.15927e-07% change)
linmin: converged after 6 iterations.
iteration 44: trace = 1.065403021192306 (3.24026e-07% change)
linmin: converged after 2 iterations.
iteration 45: trace = 1.065403018976769 (2.07953e-07% change)
linmin: converged after 2 iterations.
iteration 46: trace = 1.065403018006529 (9.10678e-08% change)
linmin: converged after 2 iterations.
iteration 47: trace = 1.065403017544304 (4.3385e-08% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.06540301707721 (4.3842e-08% change)
large trace change predicted (8.98853e-08%)
linmin: converged after 2 iterations.
iteration 49: trace = 1.06540301611957 (8.98853e-08% change)
large trace change predicted (2.34697e-07%)
linmin: converged after 2 iterations.
iteration 50: trace = 1.065403013619096 (2.34697e-07% change)
large trace change predicted (5.60932e-07%)
linmin: converged after 12 iterations.
iteration 51: trace = 1.065403007642869 (5.60936e-07% change)
linmin: converged after 18 iterations.
iteration 52: trace = 1.065402998323143 (8.74761e-07% change)
linmin: converged after 4 iterations.
iteration 53: trace = 1.065402986266674 (1.13163e-06% change)
linmin: converged after 4 iterations.
iteration 54: trace = 1.065402969177869 (1.60398e-06% change)
linmin: converged after 5 iterations.
iteration 55: trace = 1.065402943673377 (2.39388e-06% change)
linmin: converged after 5 iterations.
iteration 56: trace = 1.065402909801003 (3.1793e-06% change)
linmin: converged after 5 iterations.
iteration 57: trace = 1.065402880544193 (2.74608e-06% change)
linmin: converged after 3 iterations.
iteration 58: trace = 1.065402867305791 (1.24257e-06% change)
linmin: converged after 4 iterations.
iteration 59: trace = 1.065402862588597 (4.42762e-07% change)
linmin: converged after 4 iterations.
iteration 60: trace = 1.065402860542621 (1.92038e-07% change)
linmin: converged after 4 iterations.
iteration 61: trace = 1.065402859235889 (1.22651e-07% change)
linmin: converged after 3 iterations.
iteration 62: trace = 1.065402858140635 (1.02802e-07% change)
linmin: converged after 4 iterations.
iteration 63: trace = 1.065402857385874 (7.08428e-08% change)
linmin: converged after 4 iterations.
iteration 64: trace = 1.06540285703715 (3.27316e-08% change)
linmin: converged after 2 iterations.
iteration 65: trace = 1.065402856879938 (1.47562e-08% change)
linmin: converged after 2 iterations.
iteration 66: trace = 1.065402856783457 (9.05579e-09% change)
linmin: converged after 2 iterations.
iteration 67: trace = 1.065402856698865 (7.9399e-09% change)
linmin: converged after 2 iterations.
iteration 68: trace = 1.065402856628627 (6.59263e-09% change)
linmin: converged after 6 iterations.
iteration 69: trace = 1.065402856591383 (3.49579e-09% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 70: trace = 1.06540285657846 (1.21295e-09% change)
linmin: converged after 2 iterations.
iteration 71: trace = 1.065402856572683 (5.42313e-10% change)
linmin: converged after 4 iterations.
iteration 72: trace = 1.065402856570917 (1.65731e-10% change)
linmin: converged after 2 iterations.
iteration 73: trace = 1.065402856570141 (7.28406e-11% change)
Finished solving for bands 1 to 5 after 73 iterations.
freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056
elapsed time for k point: 2.017220973968506
solve_kpoint (0.275,0.75,0.475):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.06565298387963 (0.504169% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.063445111979978 (0.2074% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.062314062055384 (0.106414% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.060800076256362 (0.142619% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.059864883583945 (0.0881981% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.058934076593912 (0.0878618% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.058590166729623 (0.0324823% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.058340293109642 (0.0236072% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.058044369605698 (0.027965% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.057844196272982 (0.018921% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.057733298897283 (0.0104839% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.057686885986062 (0.00438806% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.05764371821719 (0.00408142% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.057601094475249 (0.00403015% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.057574169298974 (0.0025459% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.057560843552251 (0.00126004% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.057554897774382 (0.000562218% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.057550493137504 (0.000416493% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.057547622003613 (0.000271489% change)
linmin: converged after 4 iterations.
iteration 20: trace = 1.057546213279662 (0.000133207% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.057545647265979 (5.35214e-05% change)
linmin: converged after 6 iterations.
iteration 22: trace = 1.057545445060888 (1.91202e-05% change)
linmin: converged after 6 iterations.
iteration 23: trace = 1.057545346459599 (9.3236e-06% change)
linmin: converged after 22 iterations.
iteration 24: trace = 1.057545294682111 (4.89601e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.057545271741628 (2.16922e-06% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.05754526291091 (8.3502e-07% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.057545260634118 (2.1529e-07% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.057545259833977 (7.56602e-08% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.057545259398516 (4.11766e-08% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.057545259108179 (2.74538e-08% change)
linmin: converged after 3 iterations.
iteration 31: trace = 1.057545258933642 (1.6504e-08% change)
linmin: converged after 9 iterations.
iteration 32: trace = 1.057545258873732 (5.66495e-09% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.05754525885484 (1.78642e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.057545258846103 (8.26139e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 1.057545258839642 (6.1099e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.057545258833266 (6.02886e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 1.057545258828682 (4.33446e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 1.057545258826096 (2.44543e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 1.057545258824421 (1.58396e-10% change)
linmin: converged after 8 iterations.
iteration 40: trace = 1.057545258822975 (1.36685e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.057545258821915 (1.00278e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 1.057545258821418 (4.69266e-11% change)
Finished solving for bands 1 to 5 after 42 iterations.
freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199
elapsed time for k point: 0.979633092880249
solve_kpoint (0.3,0.75,0.45):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.051264386852736 (0.453577% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.049735266940322 (0.145561% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.049264550979265 (0.0448515% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.048963507822298 (0.028695% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.048842772219851 (0.0115107% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.048772455330029 (0.00670446% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.048748914239812 (0.00224466% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.048744582091036 (0.000413079% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.04874197370127 (0.000248716% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.048740250692948 (0.000164293% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.048738772995077 (0.000140902% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.04873813839741 (6.05106e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.048737951057088 (1.78634e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.048737879547413 (6.81864e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.04873784730365 (3.07453e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.048737823461937 (2.27337e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.048737805857728 (1.67861e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.048737790475256 (1.46676e-06% change)
linmin: converged after 9 iterations.
iteration 19: trace = 1.048737774176587 (1.55412e-06% change)
linmin: converged after 4 iterations.
iteration 20: trace = 1.048737760567198 (1.29769e-06% change)
linmin: converged after 6 iterations.
iteration 21: trace = 1.048737751887526 (8.2763e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 1.048737748311013 (3.4103e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 1.048737746988579 (1.26098e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.048737746414591 (5.47313e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.048737746162667 (2.40217e-08% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.048737746020625 (1.35441e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.048737745965863 (5.2217e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 1.048737745951456 (1.37376e-09% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.048737745947919 (3.37258e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.048737745947215 (6.70747e-11% change)
Finished solving for bands 1 to 5 after 30 iterations.
freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052
elapsed time for k point: 0.6953442096710205
solve_kpoint (0.325,0.75,0.425):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.043730320366995 (0.402906% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.042615065363743 (0.10691% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.042310395155701 (0.029226% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.042172278532945 (0.0132519% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.042115497545319 (0.00544848% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.042085473330403 (0.00288112% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.042070524368565 (0.00143453% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.042066548612347 (0.000381525% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.0420628870474 (0.000351376% change)
linmin: converged after 6 iterations.
iteration 10: trace = 1.042059736967608 (0.000302293% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.042056939339037 (0.000268471% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.042055775662489 (0.000111671% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.042055457699151 (3.05131e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.042055355980323 (9.76136e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.04205532229387 (3.23269e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.042055302547835 (1.89491e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.042055285398348 (1.64574e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.042055265630022 (1.89705e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.042055241138575 (2.3503e-06% change)
linmin: converged after 4 iterations.
iteration 20: trace = 1.042055220583107 (1.97259e-06% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.042055207018135 (1.30175e-06% change)
linmin: converged after 6 iterations.
iteration 22: trace = 1.042055201090035 (5.68885e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 1.042055199094494 (1.91501e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.04205519837725 (6.88297e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.042055198125168 (2.41908e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.042055197991545 (1.2823e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.042055197924896 (6.39597e-09% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.042055197900918 (2.30098e-09% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.042055197891543 (8.99723e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 1.042055197887333 (4.03963e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 1.042055197884503 (2.71553e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.042055197882747 (1.68528e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 1.042055197882128 (5.94716e-11% change)
Finished solving for bands 1 to 5 after 33 iterations.
freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391
elapsed time for k point: 0.7993857860565186
solve_kpoint (0.35,0.75,0.4):
Solving for bands 1 to 5...
linmin: converged after 5 iterations.
iteration 1: trace = 1.040583967142558 (0.367529% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.039722865444511 (0.082786% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.039501656240105 (0.021278% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.039430647296697 (0.00683129% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.039402550983601 (0.00270308% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.039389236782759 (0.00128096% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.03937784008029 (0.00109649% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.039372508607829 (0.00051295% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.039365669584078 (0.000657998% change)
linmin: converged after 6 iterations.
iteration 10: trace = 1.039358797682165 (0.000661165% change)
linmin: converged after 6 iterations.
iteration 11: trace = 1.039351522033681 (0.000700016% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.039347743030266 (0.000363593% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.039346603568448 (0.000109632% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.039346252826993 (3.37463e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.039346151663298 (9.7334e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.039346101166342 (4.85853e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 1.039346056762957 (4.27224e-06% change)
linmin: converged after 22 iterations.
iteration 18: trace = 1.039346002477106 (5.22308e-06% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.039345931774669 (6.80259e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.039345863606866 (6.55872e-06% change)
linmin: converged after 3 iterations.
iteration 21: trace = 1.039345797360606 (6.37384e-06% change)
linmin: converged after 26 iterations.
iteration 22: trace = 1.039345749422766 (4.61231e-06% change)
linmin: converged after 21 iterations.
iteration 23: trace = 1.039345724079955 (2.43834e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 1.039345709972817 (1.35731e-06% change)
linmin: converged after 4 iterations.
iteration 25: trace = 1.039345701605026 (8.05102e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.039345695151121 (6.20958e-07% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.039345691963401 (3.06704e-07% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.039345690769053 (1.14913e-07% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.039345690283833 (4.66852e-08% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.039345690103322 (1.73677e-08% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.039345690033778 (6.69117e-09% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.03934569001156 (2.13769e-09% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.039345690005518 (5.81375e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.039345690002444 (2.95762e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 1.039345689999081 (3.23535e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.039345689993936 (4.95044e-10% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.039345689988246 (5.47407e-10% change)
linmin: converged after 13 iterations.
iteration 38: trace = 1.03934568998542 (2.71941e-10% change)
linmin: converged after 5 iterations.
iteration 39: trace = 1.039345689984554 (8.33191e-11% change)
Finished solving for bands 1 to 5 after 39 iterations.
freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376
elapsed time for k point: 0.9842352867126465
solve_kpoint (0.375,0.75,0.375):
Solving for bands 1 to 5...
linmin: converged after 4 iterations.
iteration 1: trace = 1.042607161720368 (0.34652% change)
linmin: converged after 4 iterations.
iteration 2: trace = 1.041876242539336 (0.0701295% change)
linmin: converged after 4 iterations.
iteration 3: trace = 1.041689793082598 (0.0178971% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.04164114766723 (0.00466997% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.041621655682081 (0.00187129% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.041610029144806 (0.0011162% change)
large trace change predicted (0.0025014%)
linmin: converged after 4 iterations.
iteration 7: trace = 1.041583957213918 (0.00250307% change)
linmin: converged after 6 iterations.
iteration 8: trace = 1.041547309521649 (0.00351852% change)
large trace change predicted (0.00868818%)
linmin: converged after 5 iterations.
iteration 9: trace = 1.041457030682496 (0.00866814% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.041334060954174 (0.0118082% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.041164698681648 (0.0162653% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.041009772942722 (0.0148811% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.040930951208303 (0.00757195% change)
linmin: converged after 3 iterations.
iteration 14: trace = 1.040898073106853 (0.00315858% change)
linmin: converged after 3 iterations.
iteration 15: trace = 1.040888096986996 (0.000958419% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.040884173753158 (0.000376913% change)
linmin: converged after 3 iterations.
iteration 17: trace = 1.0408818572946 (0.000222547% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.040880129419144 (0.000166001% change)
linmin: converged after 5 iterations.
iteration 19: trace = 1.04087884692961 (0.000123212% change)
linmin: converged after 5 iterations.
iteration 20: trace = 1.04087828210478 (5.42642e-05% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.040878051081421 (2.2195e-05% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.040877952535576 (9.46757e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.040877913823631 (3.71916e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.040877896748251 (1.64048e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.040877888402689 (8.01781e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.040877879210208 (8.83147e-07% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.040877861806173 (1.67205e-06% change)
linmin: converged after 9 iterations.
iteration 28: trace = 1.040877831116786 (2.94841e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.040877780705328 (4.84317e-06% change)
linmin: converged after 11 iterations.
iteration 30: trace = 1.040877720799277 (5.75534e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.040877666373098 (5.22887e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 1.040877636834634 (2.83784e-06% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.040877628021429 (8.46709e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 1.040877624968428 (2.9331e-07% change)
linmin: converged after 2 iterations.
iteration 35: trace = 1.040877623448756 (1.45999e-07% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.040877622408063 (9.99823e-08% change)
linmin: converged after 2 iterations.
iteration 37: trace = 1.040877621570066 (8.05087e-08% change)
linmin: converged after 3 iterations.
iteration 38: trace = 1.040877621105911 (4.45927e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.040877620899616 (1.98193e-08% change)
linmin: converged after 2 iterations.
iteration 40: trace = 1.040877620810224 (8.58814e-09% change)
linmin: converged after 2 iterations.
iteration 41: trace = 1.040877620768347 (4.02326e-09% change)
linmin: converged after 2 iterations.
iteration 42: trace = 1.04087762074264 (2.46972e-09% change)
linmin: converged after 2 iterations.
iteration 43: trace = 1.04087762072244 (1.94065e-09% change)
linmin: converged after 2 iterations.
iteration 44: trace = 1.040877620697845 (2.36293e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 1.040877620655492 (4.06899e-09% change)
large trace change predicted (8.316e-09%)
linmin: converged after 23 iterations.
iteration 46: trace = 1.040877620568931 (8.31613e-09% change)
linmin: converged after 25 iterations.
iteration 47: trace = 1.040877620412678 (1.50117e-08% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.040877620260928 (1.4579e-08% change)
linmin: converged after 4 iterations.
iteration 49: trace = 1.040877620187645 (7.04054e-09% change)
linmin: converged after 3 iterations.
iteration 50: trace = 1.040877620163349 (2.33417e-09% change)
linmin: converged after 3 iterations.
iteration 51: trace = 1.040877620156028 (7.03331e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 1.040877620153325 (2.59658e-10% change)
linmin: converged after 5 iterations.
iteration 53: trace = 1.040877620151857 (1.41007e-10% change)
linmin: converged after 6 iterations.
iteration 54: trace = 1.040877620150956 (8.66524e-11% change)
Finished solving for bands 1 to 5 after 54 iterations.
freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264
Felapsed time for k point: 1.5155701637268066
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3945510789590513 at Vector3<0.25, 0.75, 0.5>
Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080589 at Vector3<0.3, 0.75, 0.45>
Band 3 range: 0.44237076681729914 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254651 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.4435551651219819 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898842 at Vector3<0.0, 0.0, 0.0>
Band 5 range: 0.5030135895148922 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926974 at Vector3<0.0, 0.0, 0.0>
Gap from band 2 (0.3967658014080589) to band 3 (0.44237076681729914), 10.869497799550695%
total elapsed time for run: 63.164342403411865
done
/tmp/meepNmMUdV/test_diamond-0: 63.18s
/tmp/meepNmMUdV/test_epsilon_input_file-0
========================
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects)
read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.29.0/python/tests/data/eps_input_file_test.h5"
Initializing epsilon function...
Allocating fields...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
Vector3<0.0, 0.0, 0.0>
elapsed time for initialization: 0.00674891471862793
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 15.010498021346 (194.322% change)
linmin: converged after 10 iterations.
iteration 2: trace = 6.706692165762185 (76.4722% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.931553794782948 (12.2665% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.6626353420037 (4.63885% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.527372289713447 (2.41757% change)
linmin: converged after 9 iterations.
iteration 6: trace = 5.474817264686457 (0.955356% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.452647710787579 (0.405758% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.443329006417282 (0.171049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.437411735002818 (0.108766% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.434223793421508 (0.058647% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.4326292019378 (0.0293478% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.431266964487992 (0.0250782% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.430129964019358 (0.0209365% change)
linmin: converged after 5 iterations.
iteration 14: trace = 5.428352252890605 (0.0327433% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.425410096366349 (0.0542145% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.421476783177259 (0.0725243% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.418133499317009 (0.0616864% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.416179004383361 (0.0360797% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.415183619213034 (0.0183797% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.414790413232372 (0.00726144% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.414658533288641 (0.00243558% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.414605098261772 (0.000986864% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.414579782587724 (0.000467545% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.414557159788051 (0.000417814% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.41453770936717 (0.000359225% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.414526431428772 (0.00020829% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.414516059097875 (0.000191565% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.414506000595689 (0.000185769% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.41449557958568 (0.000192465% change)
linmin: converged after 5 iterations.
iteration 30: trace = 5.414486357822161 (0.000170316% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.414478585159968 (0.000143553% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.414473688675649 (9.04332e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.414471810062535 (3.46961e-05% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.414471116517081 (1.28091e-05% change)
linmin: converged after 2 iterations.
iteration 35: trace = 5.414470893896522 (4.11158e-06% change)
linmin: converged after 2 iterations.
iteration 36: trace = 5.414470830684608 (1.16746e-06% change)
linmin: converged after 7 iterations.
iteration 37: trace = 5.414470802007637 (5.29636e-07% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.414470781361678 (3.81311e-07% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.414470762077166 (3.56166e-07% change)
linmin: converged after 20 iterations.
iteration 40: trace = 5.414470741386276 (3.82141e-07% change)
linmin: converged after 2 iterations.
iteration 41: trace = 5.414470722667675 (3.45714e-07% change)
linmin: converged after 2 iterations.
iteration 42: trace = 5.414470706127531 (3.0548e-07% change)
linmin: converged after 2 iterations.
iteration 43: trace = 5.414470693366221 (2.35689e-07% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.414470683200209 (1.87756e-07% change)
linmin: converged after 2 iterations.
iteration 45: trace = 5.414470674912604 (1.53064e-07% change)
linmin: converged after 2 iterations.
iteration 46: trace = 5.414470669970536 (9.12752e-08% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.414470667695277 (4.20218e-08% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.414470666815672 (1.62454e-08% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.414470666454856 (6.66391e-09% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.414470666309422 (2.68604e-09% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.414470666257191 (9.64641e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.414470666225628 (5.82941e-10% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.414470666199074 (4.90424e-10% change)
linmin: converged after 16 iterations.
iteration 54: trace = 5.414470666173623 (4.70067e-10% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.414470666149845 (4.39146e-10% change)
linmin: converged after 4 iterations.
iteration 56: trace = 5.414470666128747 (3.89656e-10% change)
linmin: converged after 4 iterations.
iteration 57: trace = 5.414470666110463 (3.37688e-10% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.414470666093909 (3.0575e-10% change)
linmin: converged after 7 iterations.
iteration 59: trace = 5.41447066608077 (2.42661e-10% change)
linmin: converged after 6 iterations.
iteration 60: trace = 5.414470666072175 (1.58739e-10% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.414470666068269 (7.21439e-11% change)
Finished solving for bands 2 to 8 after 61 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475
elapsed time for k point: 0.5201950073242188
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.41403420081913 (0.770067% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.394129086431346 (0.368335% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.387838054235943 (0.116695% change)
linmin: converged after 8 iterations.
iteration 4: trace = 5.385733021260244 (0.0390777% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.385123764185888 (0.0113131% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.384850308347506 (0.00507812% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.384742385264802 (0.00200422% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.384707331033317 (0.000650994% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.38469712543302 (0.00018953% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.384694738827012 (4.4322e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.384693738418333 (1.85787e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.384693341474304 (7.37171e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.384693264290619 (1.43339e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.384693236314638 (5.19546e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.384693227539165 (1.62971e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.384693222657309 (9.06617e-08% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.384693220298978 (4.37969e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.384693219444983 (1.58597e-08% change)
linmin: converged after 23 iterations.
iteration 19: trace = 5.384693219150676 (5.46564e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.384693219100488 (9.32038e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.384693219085559 (2.77256e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.384693219081504 (7.52974e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516
elapsed time for k point: 0.23336219787597656
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.355662708016967 (0.460045% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.34722213506751 (0.157725% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.345410979037295 (0.0338767% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.344984997323115 (0.00796943% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.344879076779406 (0.0019817% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.344849146440733 (0.000559983% change)
linmin: converged after 22 iterations.
iteration 7: trace = 5.344835115273662 (0.000262518% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.344829856084766 (9.83976e-05% change)
linmin: converged after 10 iterations.
iteration 9: trace = 5.344828194804581 (3.1082e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.34482778191428 (7.72504e-06% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.344827673972688 (2.01955e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.344827628371226 (8.53189e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.34482761778566 (1.98053e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.344827614523979 (6.1025e-08% change)
linmin: converged after 15 iterations.
iteration 15: trace = 5.344827613901673 (1.16431e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.344827613761431 (2.62389e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.344827613731026 (5.68868e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.344827613719946 (2.07304e-10% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.344827613715932 (7.50946e-11% change)
Finished solving for bands 1 to 8 after 19 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644
elapsed time for k point: 0.2807893753051758
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.340457320235624 (0.319238% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.334738355250337 (0.107145% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.333227635047892 (0.0283226% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.332794678894591 (0.00811842% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.332637699653032 (0.0029437% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.332576391909682 (0.00114968% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.332547153504789 (0.000548299% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.332540332683688 (0.000127909% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.332539070811745 (2.36636e-05% change)
linmin: converged after 8 iterations.
iteration 10: trace = 5.332538862039456 (3.91506e-06% change)
linmin: converged after 14 iterations.
iteration 11: trace = 5.332538810551377 (9.65545e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.332538790057334 (3.84321e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.332538782348786 (1.44557e-07% change)
linmin: converged after 11 iterations.
iteration 14: trace = 5.332538778533824 (7.15412e-08% change)
linmin: converged after 11 iterations.
iteration 15: trace = 5.33253877716299 (2.5707e-08% change)
linmin: converged after 26 iterations.
iteration 16: trace = 5.332538776748035 (7.78157e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.332538776643096 (1.9679e-09% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.33253877660365 (7.39719e-10% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.332538776587458 (3.03652e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.332538776581433 (1.12976e-10% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.332538776580064 (2.56833e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856
elapsed time for k point: 0.20762968063354492
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.363396432914471 (0.284485% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.35681496597751 (0.122786% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.354076997895033 (0.0511249% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.352894701676444 (0.0220846% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.352440600391805 (0.00848364% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.352259473034 (0.00338407% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.352189105551781 (0.00131473% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.352168902977405 (0.000377464% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.352160538189254 (0.000156288% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.352156103698383 (8.28543e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.352153672779187 (4.54194e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.352152330741596 (2.50747e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.35215188575005 (8.31425e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.352151731938054 (2.87383e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.352151681468186 (9.42983e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.352151666678834 (2.76325e-07% change)
linmin: converged after 16 iterations.
iteration 17: trace = 5.352151661664975 (9.36793e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.352151659840976 (3.40797e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.35215165933784 (9.40062e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.352151659154265 (3.42994e-09% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.352151659081809 (1.35377e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.352151659049177 (6.09693e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 5.352151659038401 (2.01345e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.352151659035264 (5.86128e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101
elapsed time for k point: 0.24733352661132812
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.408014214230133 (0.323637% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.395953624985673 (0.223262% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.388192869995439 (0.143929% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.383948420763032 (0.0788042% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.382101128030709 (0.034317% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.380826833882337 (0.0236793% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.379816112031405 (0.0187855% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.378899374350685 (0.0170418% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.378431618794407 (0.0086965% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.378289587783547 (0.00264079% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.378238168343263 (0.00095606% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.3782175387905 (0.000383575% change)
linmin: converged after 6 iterations.
iteration 13: trace = 5.378209482090192 (0.000149803% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.378206573501588 (5.4081e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.378205626014855 (1.76172e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.378205300789658 (6.0471e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.378205138261713 (3.02197e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.378205064148518 (1.37803e-06% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.378205024912403 (7.29539e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.378205008150022 (3.11672e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.378205002382006 (1.07248e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.378204997047539 (9.91868e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.378204992784511 (7.92649e-08% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.378204989224097 (6.62008e-08% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.378204987266805 (3.6393e-08% change)
linmin: converged after 17 iterations.
iteration 26: trace = 5.378204986560163 (1.3139e-08% change)
linmin: converged after 17 iterations.
iteration 27: trace = 5.378204986365555 (3.61845e-09% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.378204986298523 (1.24636e-09% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.378204986252788 (8.50376e-10% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.37820498622292 (5.55363e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 5.378204986206847 (2.98845e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.378204986199393 (1.38605e-10% change)
linmin: converged after 15 iterations.
iteration 33: trace = 5.378204986194201 (9.65267e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222
elapsed time for k point: 0.9332189559936523
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.330842291784984 (1.63265% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.29404612333864 (0.692641% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.284981234180934 (0.171375% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.282498119399746 (0.0469954% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.281616824734812 (0.0166847% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.281190026018346 (0.00808116% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.281060361590548 (0.00245524% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.281017317052713 (0.000815077% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.281001279428478 (0.000303685% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.280995051890185 (0.000117924% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.280992817488488 (4.23102e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.280991955892319 (1.6315e-05% change)
linmin: converged after 8 iterations.
iteration 13: trace = 5.280991779814332 (3.33418e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.280991731376504 (9.17211e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.280991719857131 (2.18129e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.280991716887279 (5.62366e-08% change)
linmin: converged after 28 iterations.
iteration 17: trace = 5.280991715662336 (2.31953e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.280991715170658 (9.31033e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.280991714932153 (4.5163e-09% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.280991714863475 (1.30047e-09% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.280991714843208 (3.83779e-10% change)
linmin: converged after 7 iterations.
iteration 22: trace = 5.280991714835511 (1.45748e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.280991714829545 (1.12969e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.280991714822687 (1.29872e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.28099171481807 (8.74221e-11% change)
Finished solving for bands 1 to 8 after 25 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391
elapsed time for k point: 0.4791703224182129
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.134764281905371 (0.624371% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.124408367542724 (0.201886% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.122357731850104 (0.040025% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.12174424238796 (0.0119774% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.121558726682798 (0.00362219% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.121477742069779 (0.00158126% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.121447904740887 (0.000582594% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.121439718676667 (0.000159839% change)
linmin: converged after 6 iterations.
iteration 9: trace = 5.121437287250298 (4.74755e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.121436809310326 (9.33215e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.121436715075805 (1.84e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.1214366855107 (5.77281e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.121436680112657 (1.05401e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.121436678590915 (2.97132e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.121436678180302 (8.01753e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.121436678101738 (1.53404e-09% change)
linmin: converged after 7 iterations.
iteration 17: trace = 5.1214366780824 (3.77578e-10% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.121436678073881 (1.66348e-10% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.121436678060031 (2.7042e-10% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.121436678042873 (3.35037e-10% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.121436678033497 (1.83066e-10% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.121436678029987 (6.8537e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532
elapsed time for k point: 0.8439643383026123
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.994388823457157 (0.316337% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.990236163390585 (0.0831811% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.989513812258216 (0.0144763% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.989343647112834 (0.00341051% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.989291241668816 (0.00105035% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.989274244813382 (0.000340667% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.989267787671027 (0.000129421% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.989266097922126 (3.38677e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.989265604082178 (9.89805e-06% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.989265515601312 (1.77342e-06% change)
linmin: converged after 19 iterations.
iteration 11: trace = 4.989265501206923 (2.88507e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.989265496708839 (9.01552e-08% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.989265495704011 (2.01398e-08% change)
linmin: converged after 21 iterations.
iteration 14: trace = 4.989265495448894 (5.11331e-09% change)
linmin: converged after 10 iterations.
iteration 15: trace = 4.989265495393171 (1.11687e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.989265495383631 (1.91209e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.989265495381124 (5.02366e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635
elapsed time for k point: 0.4772200584411621
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.909138536844211 (0.232394% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.906563118934637 (0.0524755% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.906119641584239 (0.00903886% change)
linmin: converged after 3 iterations.
iteration 4: trace = 4.906037816827293 (0.00166782% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.906013084889064 (0.000504114% change)
linmin: converged after 14 iterations.
iteration 6: trace = 4.90600738959164 (0.000116088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.906005834953579 (3.16885e-05% change)
linmin: converged after 21 iterations.
iteration 8: trace = 4.906005406698485 (8.7292e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.906005254385232 (3.10463e-06% change)
linmin: converged after 18 iterations.
iteration 10: trace = 4.906005216417528 (7.73903e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.906005209418575 (1.42661e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.906005206803123 (5.33112e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.906005206252121 (1.12312e-08% change)
linmin: converged after 15 iterations.
iteration 14: trace = 4.906005206142125 (2.24206e-09% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.906005206125053 (3.47993e-10% change)
linmin: converged after 8 iterations.
iteration 16: trace = 4.906005206120705 (8.86186e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708
elapsed time for k point: 0.3428318500518799
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 4.880387825184451 (0.204402% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.878237626561798 (0.0440677% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.877861752866675 (0.00770541% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.87779955496002 (0.00127511% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.877780932666951 (0.000381777% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.877777338735246 (7.36797e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.877776722798982 (1.26274e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.877776610093842 (2.31058e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.877776584075416 (5.33407e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.877776575591742 (1.73925e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.877776573289267 (4.72034e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.877776572070434 (2.49875e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.877776571775754 (6.04129e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.877776571718371 (1.17641e-09% change)
linmin: converged after 7 iterations.
iteration 15: trace = 4.877776571708919 (1.93777e-10% change)
linmin: converged after 7 iterations.
iteration 16: trace = 4.877776571705258 (7.50562e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735
elapsed time for k point: 0.3032221794128418
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.939234288026457 (0.398492% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.934705211880211 (0.091738% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.933808978362581 (0.0181635% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.933618724668675 (0.0038562% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.933561794539686 (0.00115393% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.933546467636374 (0.000310667% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.933542429887031 (8.18428e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.933541498295165 (1.88828e-05% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.933541269558869 (4.63635e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.933541218844871 (1.02794e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.933541212739493 (1.23752e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.933541210751461 (4.02962e-08% change)
linmin: converged after 8 iterations.
iteration 13: trace = 4.933541210308102 (8.98663e-09% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.933541210231291 (1.55691e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.933541210216972 (2.90242e-10% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.93354121021467 (4.66634e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665
elapsed time for k point: 0.30820775032043457
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.09950711216279 (0.487571% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.090581721310897 (0.175178% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.088071827632202 (0.0493168% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.087225562915948 (0.0166337% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.086961938953231 (0.00518221% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.086853665324336 (0.00212848% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.086807094856566 (0.000915511% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.086793518222221 (0.000266899% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.086790021445188 (6.87423e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.086789203381458 (1.60821e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.08678904552023 (3.10336e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.086788991806468 (1.05595e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.086788981872509 (1.95289e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.086788979939783 (3.7995e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.086788979425329 (1.01135e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.086788979343621 (1.60628e-09% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.086788979319499 (4.7421e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.086788979306894 (2.47799e-10% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.086788979301443 (1.07155e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.086788979299675 (3.47464e-11% change)
Finished solving for bands 1 to 8 after 20 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247
elapsed time for k point: 0.3113892078399658
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.309330906730342 (0.847184% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.280371277324799 (0.546939% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.269934727134993 (0.197844% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.265762219364312 (0.0792071% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.264459973518456 (0.0247335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.263804604149962 (0.0124497% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.263469633537655 (0.00636386% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.263325108730882 (0.00274585% change)
linmin: converged after 6 iterations.
iteration 9: trace = 5.263272539866859 (0.000998782% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.263261122021758 (0.000216935% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.263257754583083 (6.39801e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.263256795625349 (1.82199e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.263256607031205 (3.58322e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.263256551248049 (1.05986e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.263256530468796 (3.94798e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.263256521693531 (1.66727e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.263256515340482 (1.20706e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.263256513415705 (3.65701e-08% change)
linmin: converged after 18 iterations.
iteration 19: trace = 5.263256512765319 (1.23571e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.263256512526155 (4.54404e-09% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.263256512381847 (2.74179e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.263256512319999 (1.1751e-09% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.263256512296811 (4.40558e-10% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.263256512290631 (1.17434e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.263256512288835 (3.41214e-11% change)
Finished solving for bands 1 to 8 after 25 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602
elapsed time for k point: 0.40448665618896484
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.410850204127255 (1.34359% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.374437224942905 (0.675234% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.366093703693424 (0.155365% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.363891157768965 (0.041054% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.363304623246647 (0.0109355% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.363093120245635 (0.0039436% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.363009973967524 (0.00155035% change)
linmin: converged after 12 iterations.
iteration 8: trace = 5.36296230885997 (0.000888779% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.362928148997674 (0.000636961% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.362908167194895 (0.000372592% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.362897445562917 (0.000199922% change)
linmin: converged after 10 iterations.
iteration 12: trace = 5.36289083229464 (0.000123315% change)
linmin: converged after 11 iterations.
iteration 13: trace = 5.362888873060142 (3.65332e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.362888159902996 (1.3298e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.362887935137234 (4.19113e-06% change)
linmin: converged after 8 iterations.
iteration 16: trace = 5.362887877004615 (1.08398e-06% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.362887858604033 (3.4311e-07% change)
linmin: converged after 19 iterations.
iteration 18: trace = 5.362887851988788 (1.23352e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.362887849877572 (3.93671e-08% change)
linmin: converged after 8 iterations.
iteration 20: trace = 5.362887849213489 (1.23829e-08% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.362887849013022 (3.73805e-09% change)
linmin: converged after 22 iterations.
iteration 22: trace = 5.362887848952667 (1.12542e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.362887848922164 (5.68774e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.362887848904127 (3.36332e-10% change)
linmin: converged after 16 iterations.
iteration 25: trace = 5.362887848892482 (2.17139e-10% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.362887848885797 (1.24659e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.362887848881173 (8.62195e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311
elapsed time for k point: 0.45803213119506836
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.461006864450057 (1.06365% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.432871450760013 (0.516536% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.42268849791254 (0.187608% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.417696175639966 (0.092106% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.416105681037619 (0.0293617% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.415171295320584 (0.0172535% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.414783176173547 (0.00716751% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.414648244037634 (0.00249195% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.414594483996364 (0.000992868% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.414576265050929 (0.000336479% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.414564861069105 (0.000210617% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.414555419970065 (0.000174365% change)
linmin: converged after 17 iterations.
iteration 13: trace = 5.414537376508578 (0.00033324% change)
large trace change predicted (0.000679766%)
linmin: converged after 5 iterations.
iteration 14: trace = 5.414500553000028 (0.000680088% change)
linmin: converged after 7 iterations.
iteration 15: trace = 5.414478702494632 (0.000403556% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.414472728543718 (0.000110333% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.4144713305419 (2.58197e-05% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.414470844198768 (8.98228e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.414470719354928 (2.30574e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.41447068131429 (7.02574e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.414470670480572 (2.00088e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.414470667611978 (5.29801e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.414470666661455 (1.75552e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.414470666362712 (5.51748e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.414470666267753 (1.75381e-09% change)
linmin: converged after 14 iterations.
iteration 26: trace = 5.414470666221955 (8.45829e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.414470666193713 (5.21608e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.414470666171704 (4.06486e-10% change)
linmin: converged after 13 iterations.
iteration 29: trace = 5.414470666155404 (3.01042e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.414470666140535 (2.74616e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.414470666122158 (3.39411e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.414470666102798 (3.57553e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.414470666086904 (2.93562e-10% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.414470666075434 (2.11822e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.414470666069082 (1.1732e-10% change)
linmin: converged after 6 iterations.
iteration 36: trace = 5.414470666066688 (4.42246e-11% change)
Finished solving for bands 2 to 8 after 36 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475
F.elapsed time for k point: 0.20986247062683105
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772997 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.44028964105059665 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814895 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5781815082009809 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255613 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6689126424359757 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699233 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8170847453549128 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924566 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8826671164993861 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155065 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8832199143682108 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489805 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0660233597945301 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.0873458295555551 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5781812856814895) to band 3 (0.5781815082009809), 3.848610359408257e-05%
Gap from band 4 (0.8051999839699233) to band 5 (0.8170847453549128), 1.4651880980147938%
Gap from band 7 (1.0580309832489805) to band 8 (1.0660233597945301), 0.7525585747582643%
total elapsed time for run: 6.570596933364868
done
/tmp/meepNmMUdV/test_epsilon_input_file-0: 6.57s
/tmp/meepNmMUdV/test_first_brillouin_zone-0
========================
/tmp/meepNmMUdV/test_first_brillouin_zone-0: 0.27s
/tmp/meepNmMUdV/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: 0.0005347728729248047
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
linmin: converged after 9 iterations.
iteration 1: trace = 94.4811423715298 (61.751% change)
linmin: converged after 7 iterations.
iteration 2: trace = 83.85049109174184 (11.9223% change)
linmin: converged after 5 iterations.
switching to approximate line minimization (decrease time by 51.5625%)
iteration 3: trace = 83.34611109428172 (0.603338% change)
iteration 4: trace = 83.33359978597156 (0.0150124% change)
iteration 5: trace = 83.33333949085095 (0.000312354% change)
iteration 6: trace = 83.33333352466074 (7.15943e-06% change)
iteration 7: trace = 83.3333333365708 (2.25708e-07% change)
iteration 8: trace = 83.33333333338271 (3.82571e-09% change)
iteration 9: trace = 83.33333333333447 (5.7895e-11% change)
Finished solving for bands 2 to 8 after 9 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248
elapsed time for k point: 0.0037114620208740234
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 10 iterations.
iteration 1: trace = 82.33333333334653 (0.722248% change)
linmin: converged after 2 iterations.
iteration 2: trace = 82.33333333333383 (1.54306e-11% change)
Finished solving for bands 1 to 8 after 2 iterations.
tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146
elapsed time for k point: 0.002231597900390625
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 82.6666666666667 (6.01669e-13% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925
elapsed time for k point: 0.0004146099090576172
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 84.33333333333334 (5.05524e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462
elapsed time for k point: 0.0004317760467529297
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 87.33333333333334 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655
elapsed time for k point: 0.00046515464782714844
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 47 iterations.
iteration 1: trace = 91.66666666666666 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416
elapsed time for k point: 0.0010585784912109375
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 63.1579%)
iteration 1: trace = 90.66666666672697 (3.571% change)
iteration 2: trace = 90.6666672264862 (6.17382e-07% change)
iteration 3: trace = 90.66666666666707 (6.17448e-07% change)
iteration 4: trace = 90.66666666666671 (3.91843e-13% change)
Finished solving for bands 1 to 8 after 4 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975
elapsed time for k point: 0.0008034706115722656
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 91 (9.36979e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748
elapsed time for k point: 0.0004470348358154297
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
switching to approximate line minimization (decrease time by 57.3171%)
iteration 1: trace = 92.66666666666669 (1.53355e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842
elapsed time for k point: 0.0004761219024658203
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
switching to approximate line minimization (decrease time by 56.6265%)
iteration 1: trace = 95.66666666666669 (2.97091e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369
elapsed time for k point: 0.0004603862762451172
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 45 iterations.
iteration 1: trace = 99.99999999999999 (2.84217e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435
elapsed time for k point: 0.0008881092071533203
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 91.33333333333334 (1.55593e-14% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697
elapsed time for k point: 0.00039768218994140625
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
switching to approximate line minimization (decrease time by 53.3333%)
iteration 1: trace = 85.33333333333334 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224
elapsed time for k point: 0.00044846534729003906
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
switching to approximate line minimization (decrease time by 52.5641%)
iteration 1: trace = 82 (0% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333
elapsed time for k point: 0.00044798851013183594
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
switching to approximate line minimization (decrease time by 53.3784%)
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: 0.0004642009735107422
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 83.33333333333331 (0% change)
Finished solving for bands 2 to 8 after 1 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248
.elapsed time for k point: 0.0003688335418701172
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 1.4433756729740648 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481358 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 2.0412414523193156 at Vector3<0.5, 0.5, 0.0> to 3.2274861218395086 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 2.0412414523193165 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109032 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876384 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 3.2274861218395143 at Vector3<0.5, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 3.6968455021364717 at Vector3<0.2, 0.0, 0.0> to 4.564354645876387 at Vector3<0.5, 0.5, 0.0>
Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665332 at Vector3<0.5, 0.0, 0.0>
total elapsed time for run: 0.014706850051879883
done
/tmp/meepNmMUdV/test_fractional_lattice-0: 0.02s
/tmp/meepNmMUdV/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: 0.004224300384521484
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.5689151287078857
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.9635658264160156
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.22109508514404297
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.20277023315429688
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.2764003276824951
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.5795197486877441
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.4493591785430908
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.3478848934173584
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.371016263961792
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.26372790336608887
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.3127763271331787
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.2616429328918457
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.41446805000305176
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.38782644271850586
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 1.5806512832641602
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 1.1549367904663086
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 8.363454103469849
done
Fixing b-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388
./tmp/meepNmMUdV/test_get_bfield-0: 8.38s
/tmp/meepNmMUdV/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: 0.008085012435913086
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.528010368347168
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 3.2392547130584717
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.5571389198303223
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.5193710327148438
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.494488000869751
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.4202120304107666
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.8712046146392822
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.4597148895263672
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.455768346786499
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.2422170639038086
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.2571244239807129
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.1848156452178955
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.2233114242553711
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.4699361324310303
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.5648434162139893
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 1.3662075996398926
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 10.873185157775879
done
Fixing d-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 8.66842
./tmp/meepNmMUdV/test_get_dfield-0: 10.88s
/tmp/meepNmMUdV/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: 0.007525205612182617
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.47675609588623047
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.4913620948791504
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.21770668029785156
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.20934176445007324
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.4198341369628906
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.47088003158569336
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.3992009162902832
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.3248274326324463
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.24492502212524414
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.2281038761138916
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.3252267837524414
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.17983365058898926
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.32901477813720703
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.2845573425292969
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.31264638900756836
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 1.021721363067627
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 6.9458091259002686
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
./tmp/meepNmMUdV/test_get_efield-0: 6.95s
/tmp/meepNmMUdV/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: 0.003810405731201172
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.4462254047393799
Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1
Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967
Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896
Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882
Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894
Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555
Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555
Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696582 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490526 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.569951525526946 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966812 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.568412126299298 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122106 (0.00772541% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56769679186448 (0.0051217% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.567558435607941 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.567469488484449 (0.00159761% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.5674314806203 (0.00068268% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.567416724766407 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307059 (9.8959e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.56740979639377 (2.54861e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.567409186003683 (1.09636e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.567408898969297 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776891888 (2.19271e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.567408723106272 (9.6608e-07% change)
linmin: converged after 14 iterations.
iteration 19: trace = 5.567408704724673 (3.30164e-07% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.567408695925327 (1.58051e-07% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.567408689562775 (1.14282e-07% change)
linmin: converged after 20 iterations.
iteration 22: trace = 5.567408680883096 (1.55902e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.567408666017618 (2.67009e-07% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.567408645087335 (3.75943e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756644 (5.4479e-07% change)
large trace change predicted (2.01094e-06%)
linmin: converged after 4 iterations.
iteration 26: trace = 5.567408502814525 (2.01067e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934810359823 (0.00850867% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.566934505159929 (5.48237e-06% change)
linmin: converged after 9 iterations.
iteration 29: trace = 5.566934199943775 (5.48266e-06% change)
linmin: converged after 7 iterations.
iteration 30: trace = 5.56693389481052 (5.48117e-06% change)
linmin: converged after 6 iterations.
iteration 31: trace = 5.566933589846162 (5.47814e-06% change)
linmin: converged after 6 iterations.
iteration 32: trace = 5.566933285124756 (5.47377e-06% change)
linmin: converged after 9 iterations.
iteration 33: trace = 5.566932980709135 (5.46828e-06% change)
linmin: converged after 5 iterations.
iteration 34: trace = 5.566932676621887 (5.46238e-06% change)
linmin: converged after 15 iterations.
iteration 35: trace = 5.566932372966671 (5.45462e-06% change)
linmin: converged after 7 iterations.
iteration 36: trace = 5.566932069727256 (5.44715e-06% change)
linmin: converged after 5 iterations.
iteration 37: trace = 5.56693176697333 (5.43843e-06% change)
linmin: converged after 8 iterations.
iteration 38: trace = 5.56693146470438 (5.42972e-06% change)
linmin: converged after 11 iterations.
iteration 39: trace = 5.566931162934921 (5.42075e-06% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.566930861654382 (5.41197e-06% change)
linmin: converged after 6 iterations.
iteration 41: trace = 5.566930560905994 (5.40241e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 5.566930260670055 (5.3932e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566929960942561 (5.38407e-06% change)
linmin: converged after 8 iterations.
iteration 44: trace = 5.566929661716138 (5.37507e-06% change)
linmin: converged after 7 iterations.
iteration 45: trace = 5.566929362952369 (5.36676e-06% change)
linmin: converged after 11 iterations.
iteration 46: trace = 5.566929064694512 (5.35767e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928766875275 (5.34979e-06% change)
linmin: converged after 9 iterations.
iteration 48: trace = 5.566928469525604 (5.34136e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.56692817259577 (5.33382e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 5.56692787607921 (5.32639e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692757994756 (5.31948e-06% change)
linmin: converged after 7 iterations.
iteration 52: trace = 5.566927284178287 (5.31297e-06% change)
linmin: converged after 10 iterations.
iteration 53: trace = 5.566926988731351 (5.30718e-06% change)
linmin: converged after 15 iterations.
iteration 54: trace = 5.566926693615613 (5.30123e-06% change)
linmin: converged after 5 iterations.
iteration 55: trace = 5.56692639877607 (5.29627e-06% change)
linmin: converged after 7 iterations.
iteration 56: trace = 5.566926104215404 (5.29126e-06% change)
linmin: converged after 9 iterations.
iteration 57: trace = 5.566925809894014 (5.28696e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925515775385 (5.28332e-06% change)
linmin: converged after 11 iterations.
iteration 59: trace = 5.566925221854762 (5.27977e-06% change)
linmin: converged after 6 iterations.
iteration 60: trace = 5.566924928095346 (5.27687e-06% change)
linmin: converged after 6 iterations.
iteration 61: trace = 5.566924634462735 (5.27459e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924340939635 (5.27263e-06% change)
linmin: converged after 7 iterations.
iteration 63: trace = 5.56692404750644 (5.27101e-06% change)
linmin: converged after 23 iterations.
iteration 64: trace = 5.566923754129689 (5.27e-06% change)
linmin: converged after 6 iterations.
iteration 65: trace = 5.566923460778015 (5.26955e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 5.566923167431536 (5.26945e-06% change)
linmin: converged after 8 iterations.
iteration 67: trace = 5.566922874064527 (5.26982e-06% change)
linmin: converged after 6 iterations.
iteration 68: trace = 5.566922580655327 (5.27058e-06% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.566922287171046 (5.27193e-06% change)
resetting CG direction...
large trace change predicted (0.0754188%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718512782029 (0.075542% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516076385325 (0.0575862% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556791790405083 (0.0490142% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554010353428814 (0.0500673% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552005582857545 (0.0361024% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550547712228479 (0.0262619% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549457268880531 (0.0196476% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548473999494187 (0.0177199% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114264378192 (0.0245095% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545235393501411 (0.0338769% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.543228109084729 (0.0362049% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.541884091982618 (0.024249% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541239968218262 (0.0116235% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.540832071170986 (0.00736139% change)
linmin: converged after 4 iterations.
iteration 84: trace = 5.540632074196049 (0.00360958% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551195367696 (0.00145975% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517966360051 (0.000599744% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.54050758501761 (0.000187372% change)
linmin: converged after 5 iterations.
iteration 88: trace = 5.540503174032403 (7.96134e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.54050151560827 (2.99327e-05% change)
linmin: converged after 5 iterations.
iteration 90: trace = 5.540500784614716 (1.31936e-05% change)
linmin: converged after 13 iterations.
iteration 91: trace = 5.540500263761089 (9.40084e-06% change)
linmin: converged after 5 iterations.
iteration 92: trace = 5.54049982753501 (7.87341e-06% change)
linmin: converged after 5 iterations.
iteration 93: trace = 5.540499525516076 (5.45111e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499204019576 (5.80266e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498783005636 (7.59885e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498244686079 (9.71609e-06% change)
linmin: converged after 8 iterations.
iteration 97: trace = 5.540497715640619 (9.5487e-06% change)
linmin: converged after 5 iterations.
iteration 98: trace = 5.540497529492564 (3.35977e-06% change)
linmin: converged after 4 iterations.
iteration 99: trace = 5.540497433083058 (1.74009e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497372993969 (1.08454e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320879106 (9.40617e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282464852 (6.93336e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.540497260411306 (3.98043e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250229082 (1.83778e-07% change)
linmin: converged after 7 iterations.
iteration 105: trace = 5.540497245835659 (7.92966e-08% change)
linmin: converged after 4 iterations.
iteration 106: trace = 5.54049724429488 (2.78094e-08% change)
linmin: converged after 5 iterations.
iteration 107: trace = 5.540497243575158 (1.29902e-08% change)
linmin: converged after 15 iterations.
iteration 108: trace = 5.540497243249977 (5.86916e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243061477 (3.40222e-09% change)
linmin: converged after 4 iterations.
iteration 110: trace = 5.540497242956238 (1.89944e-09% change)
linmin: converged after 6 iterations.
iteration 111: trace = 5.540497242912883 (7.82521e-10% change)
linmin: converged after 13 iterations.
iteration 112: trace = 5.540497242878081 (6.28145e-10% change)
linmin: converged after 10 iterations.
iteration 113: trace = 5.540497242842925 (6.34526e-10% change)
linmin: converged after 6 iterations.
iteration 114: trace = 5.540497242789407 (9.65944e-10% change)
linmin: converged after 4 iterations.
iteration 115: trace = 5.540497242722664 (1.20462e-09% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.540497242658179 (1.16389e-09% change)
linmin: converged after 5 iterations.
iteration 117: trace = 5.540497242618782 (7.11072e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597686 (3.8076e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587047 (1.92031e-10% change)
linmin: converged after 4 iterations.
iteration 120: trace = 5.540497242581502 (1.00079e-10% change)
linmin: converged after 5 iterations.
iteration 121: trace = 5.540497242579407 (3.78003e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.1389126777648926
Fixing h-field (band 1) phase by -1 + 2.61427e-07i; max ampl. = 1.02721
Fixing h-field (band 2) phase by -0.999999 + 0.00113019i; max ampl. = 5.09036
Fixing h-field (band 3) phase by 0.000419897 + -1i; max ampl. = 3.73536
Fixing h-field (band 4) phase by -0.000252259 + -1i; max ampl. = 4.23726
Fixing h-field (band 5) phase by -1 + -7.08995e-05i; max ampl. = 1.49733
Fixing h-field (band 6) phase by 0.000416155 + 1i; max ampl. = 3.68915
Fixing h-field (band 7) phase by 2.54618e-05 + 1i; max ampl. = 2.46425
Fixing h-field (band 8) phase by 0.999999 + -0.0013508i; max ampl. = 4.67306
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.514285081822686 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029228409 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358038294 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093779247 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680599955 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472484 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717327 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902817 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643219 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353633 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158968 (1.3696e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.499375151065391 (5.43868e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.499375016510671 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565689 (8.71826e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.49937495268447 (2.88782e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.499374947904278 (8.69224e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845085 (1.92602e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72148e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.499374946459589 (2.28834e-09% change)
linmin: converged after 18 iterations.
iteration 20: trace = 5.499374946407672 (9.44063e-10% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.499374946373183 (6.27141e-10% change)
linmin: converged after 8 iterations.
iteration 22: trace = 5.499374946343337 (5.42723e-10% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.499374946309954 (6.07018e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.499374946288361 (3.92652e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.499374946279792 (1.5582e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.499374946276069 (6.7703e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.23291254043579102
Fixing h-field (band 1) phase by 1 + -4.12194e-12i; max ampl. = 1.11365
Fixing h-field (band 2) phase by -1 + 5.21223e-09i; max ampl. = 4.92243
Fixing h-field (band 3) phase by -1.10235e-09 + 1i; max ampl. = 2.65638
Fixing h-field (band 4) phase by 2.1595e-08 + -1i; max ampl. = 4.33159
Fixing h-field (band 5) phase by -8.62507e-10 + 1i; max ampl. = 4.52032
Fixing h-field (band 6) phase by -4.00022e-08 + -1i; max ampl. = 3.38228
Fixing h-field (band 7) phase by -1 + -6.35597e-10i; max ampl. = 2.75759
Fixing h-field (band 8) phase by -1 + -3.08219e-06i; max ampl. = 4.29116
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.49616707008053 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190713 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111948148 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973381 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583483 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149569 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235764 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535459 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.485459175740719 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
linmin: converged after 20 iterations.
iteration 14: trace = 5.485459100856755 (4.07765e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.48545909016168 (1.94971e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.485459083892922 (1.1428e-07% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.485459081556677 (4.25898e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.485459080639322 (1.67234e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.48545908025817 (6.94841e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162858 (1.73753e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.485459080117771 (8.21946e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.485459080098437 (3.52457e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.485459080091238 (1.31232e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087862 (6.15439e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.7720153331756592
Fixing h-field (band 1) phase by 1 + 7.1591e-16i; max ampl. = 1.27437
Fixing h-field (band 2) phase by -1 + -7.98183e-14i; max ampl. = 4.45322
Fixing h-field (band 3) phase by 1 + 2.69267e-13i; max ampl. = 2.62315
Fixing h-field (band 4) phase by 8.13082e-10 + 1i; max ampl. = 4.45542
Fixing h-field (band 5) phase by 9.88711e-14 + -1i; max ampl. = 5.0129
Fixing h-field (band 6) phase by -8.95405e-10 + 1i; max ampl. = 2.79024
Fixing h-field (band 7) phase by 1 + -6.49491e-15i; max ampl. = 2.99991
Fixing h-field (band 8) phase by -1 + 1.50986e-08i; max ampl. = 3.46534
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023693828 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601575505 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987799204 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809300058 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443437179 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.504615742668689 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843729359 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792832038 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084535196 (0.000321712% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.504375542715469 (0.000137015% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.504370385451024 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323756 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496837 (4.82858e-05% change)
linmin: converged after 7 iterations.
iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.5043624297593 (8.49034e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.50436223927765 (3.46056e-06% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909878 (8.29627e-07% change)
linmin: converged after 13 iterations.
iteration 19: trace = 5.504362102222021 (3.57677e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716718 (1.18185e-07% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.504362093490902 (4.04373e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.504362092750762 (1.34464e-08% change)
linmin: converged after 21 iterations.
iteration 23: trace = 5.504362092362591 (7.05207e-09% change)
linmin: converged after 18 iterations.
iteration 24: trace = 5.50436209212603 (4.2977e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030179 (1.74135e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.504362091995303 (6.33608e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.50436209198424 (2.00989e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.504362091981044 (5.80731e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.27123570442199707
Fixing h-field (band 1) phase by 1 + 2.84818e-17i; max ampl. = 1.5052
Fixing h-field (band 2) phase by -1 + -6.0752e-14i; max ampl. = 3.59052
Fixing h-field (band 3) phase by -1 + 4.06662e-15i; max ampl. = 3.69829
Fixing h-field (band 4) phase by 4.56352e-12 + -1i; max ampl. = 4.56151
Fixing h-field (band 5) phase by -3.04813e-14 + -1i; max ampl. = 5.08436
Fixing h-field (band 6) phase by 8.20994e-12 + 1i; max ampl. = 1.72494
Fixing h-field (band 7) phase by -1 + -1.08556e-14i; max ampl. = 3.24171
Fixing h-field (band 8) phase by 3.69128e-11 + -1i; max ampl. = 3.16645
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373809171 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679615654 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.55372006137112 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.55028934317466 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553176633 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996597163 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367562529 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112738457 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684541 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952443713 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.53994911671489 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.539378334259862 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347189877 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693491 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652981 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689269 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647867 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294861 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327784 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295128 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.538867707344396 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.538867530767448 (3.18796e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460983 (2.49702e-06% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.538867282535843 (1.98461e-06% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.538867196565903 (1.55212e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 5.53886710778634 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688565 (2.11411e-06% change)
linmin: converged after 16 iterations.
iteration 29: trace = 5.538866904154692 (1.5623e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.538866877340915 (4.84102e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.538866871036264 (1.13826e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549572 (2.68411e-08% change)
linmin: converged after 19 iterations.
iteration 33: trace = 5.538866869090082 (8.29574e-09% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.538866868883928 (3.72196e-09% change)
linmin: converged after 3 iterations.
iteration 35: trace = 5.538866868762618 (2.19016e-09% change)
linmin: converged after 2 iterations.
iteration 36: trace = 5.538866868693111 (1.2549e-09% change)
linmin: converged after 14 iterations.
iteration 37: trace = 5.538866868641512 (9.31575e-10% change)
linmin: converged after 4 iterations.
iteration 38: trace = 5.538866868615177 (4.75465e-10% change)
linmin: converged after 8 iterations.
iteration 39: trace = 5.538866868605617 (1.72589e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600071 (1.00125e-10% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.538866868590809 (1.67233e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573494 (3.1261e-10% change)
linmin: converged after 14 iterations.
iteration 43: trace = 5.538866868559321 (2.55877e-10% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.53886686855396 (9.67896e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.42635154724121094
Fixing h-field (band 1) phase by 1 + 2.84834e-16i; max ampl. = 1.38878
Fixing h-field (band 2) phase by 1 + 4.42688e-16i; max ampl. = 3.48407
Fixing h-field (band 3) phase by 1 + -8.91348e-15i; max ampl. = 4.1103
Fixing h-field (band 4) phase by 2.03732e-12 + 1i; max ampl. = 4.60286
Fixing h-field (band 5) phase by 5.3796e-14 + 1i; max ampl. = 4.98821
Fixing h-field (band 6) phase by -1 + 2.37437e-12i; max ampl. = 2.6134
Fixing h-field (band 7) phase by -1 + -5.25629e-15i; max ampl. = 4.2595
Fixing h-field (band 8) phase by -6.95505e-13 + 1i; max ampl. = 3.64602
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033764859 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.4416000819508 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780935425 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922759868 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451089564 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496871772 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703261 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055600382 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.41986180279282 (0.0011117% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.41982788511001 (0.000625805% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.419810483680921 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901312 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057772 (5.90214e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.419798149677875 (1.5395e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322979 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.41979774854683 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573565 (1.84015e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.419797735608468 (5.47086e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.419797734089036 (2.80349e-08% change)
linmin: converged after 17 iterations.
iteration 21: trace = 5.419797733507783 (1.07246e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151182 (2.03849e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102875 (8.91292e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.419797733077009 (4.77258e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.419797733054169 (4.21409e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.419797733031985 (4.09315e-10% change)
linmin: converged after 8 iterations.
iteration 28: trace = 5.419797733016725 (2.81573e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.419797733003427 (2.45356e-10% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.419797732989454 (2.57811e-10% change)
linmin: converged after 7 iterations.
iteration 31: trace = 5.419797732973866 (2.8762e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.419797732963326 (1.94456e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 5.419797732958385 (9.1181e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.33139657974243164
Fixing h-field (band 1) phase by 1 + -2.11651e-16i; max ampl. = 1.39153
Fixing h-field (band 2) phase by -1 + 9.73269e-13i; max ampl. = 3.54504
Fixing h-field (band 3) phase by 1 + -1.10938e-14i; max ampl. = 3.95334
Fixing h-field (band 4) phase by -9.57625e-14 + 1i; max ampl. = 4.50492
Fixing h-field (band 5) phase by -1.04973e-14 + -1i; max ampl. = 4.84663
Fixing h-field (band 6) phase by 5.05322e-16 + -1i; max ampl. = 1.79067
Fixing h-field (band 7) phase by -3.73762e-13 + 1i; max ampl. = 3.04657
Fixing h-field (band 8) phase by 1 + 9.22068e-13i; max ampl. = 4.1605
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094051 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170534 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577934 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568209 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212077 (0.0113242% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.241004235879626 (0.00400633% change)
linmin: converged after 17 iterations.
iteration 7: trace = 5.240908449573097 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597347 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765799 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877272 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699077 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786501 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364838 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.240853950743164 (6.91047e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.240853949555025 (2.26707e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.240853949179415 (7.16697e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.240853949031684 (2.81883e-09% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.240853948976927 (1.04481e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.240853948939868 (7.07122e-10% change)
linmin: converged after 11 iterations.
iteration 21: trace = 5.2408539488835 (1.07554e-09% change)
linmin: converged after 11 iterations.
iteration 22: trace = 5.240853948833735 (9.49569e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.240853948802547 (5.95084e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.240853948778204 (4.64489e-10% change)
linmin: converged after 2 iterations.
iteration 25: trace = 5.240853948757241 (3.99988e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.240853948742306 (2.84984e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.24085394873585 (1.23172e-10% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.240853948733919 (3.68432e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.25344038009643555
Fixing h-field (band 1) phase by 1 + -1.44601e-15i; max ampl. = 1.40192
Fixing h-field (band 2) phase by -1 + -1.47743e-12i; max ampl. = 3.73151
Fixing h-field (band 3) phase by 1 + -6.29985e-13i; max ampl. = 3.50756
Fixing h-field (band 4) phase by 5.70938e-13 + 1i; max ampl. = 4.25492
Fixing h-field (band 5) phase by 1.93791e-14 + 1i; max ampl. = 4.10702
Fixing h-field (band 6) phase by 5.61235e-15 + 1i; max ampl. = 3.1563
Fixing h-field (band 7) phase by -5.8315e-13 + 1i; max ampl. = 3.26912
Fixing h-field (band 8) phase by -1 + -2.63931e-13i; max ampl. = 4.78292
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.102472984912779 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052854 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866202 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833601 (0.00623852% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031522 (0.000854589% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.096556387466497 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.09654810512098 (0.000162509% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 7 iterations.
iteration 10: trace = 5.096544550143689 (1.92647e-05% change)
linmin: converged after 9 iterations.
iteration 11: trace = 5.096544340283684 (4.11769e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.096544290838803 (9.70165e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659999 (2.58583e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.096544274637574 (5.93034e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956438 (1.33647e-08% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.096544273766987 (3.71725e-09% change)
linmin: converged after 22 iterations.
iteration 17: trace = 5.096544273707483 (1.16753e-09% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.096544273672404 (6.88282e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621836 (9.9221e-10% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.096544273547281 (1.46286e-09% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.096544273463905 (1.63591e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.096544273426197 (7.39884e-10% change)
linmin: converged after 7 iterations.
iteration 23: trace = 5.096544273414498 (2.29549e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.096544273410624 (7.60169e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.3214418888092041
Fixing h-field (band 1) phase by 1 + 9.38664e-13i; max ampl. = 4.05119
Fixing h-field (band 2) phase by 1 + 1.41968e-15i; max ampl. = 1.42991
Fixing h-field (band 3) phase by 1 + -1.85784e-12i; max ampl. = 2.78416
Fixing h-field (band 4) phase by 2.83277e-16 + -1i; max ampl. = 2.53227
Fixing h-field (band 5) phase by 8.24069e-13 + -1i; max ampl. = 3.9265
Fixing h-field (band 6) phase by 9.83119e-15 + -1i; max ampl. = 4.52548
Fixing h-field (band 7) phase by 1.27348e-11 + 1i; max ampl. = 3.4739
Fixing h-field (band 8) phase by -1 + -1.70983e-11i; max ampl. = 4.9086
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945950273 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389307009305 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599279913 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313196149 (0.00358098% change)
linmin: converged after 8 iterations.
iteration 5: trace = 5.006460294302824 (0.00137859% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.006443503180899 (0.00033539% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.006439503863859 (7.98834e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.006437606345235 (3.79016e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.006436969310774 (1.27243e-05% change)
linmin: converged after 18 iterations.
iteration 10: trace = 5.006436638672509 (6.60426e-06% change)
linmin: converged after 28 iterations.
iteration 11: trace = 5.006436539138784 (1.98812e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297357 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318635 (1.79344e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.006436497214729 (4.2024e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.006436496812794 (8.02835e-09% change)
linmin: converged after 13 iterations.
iteration 16: trace = 5.006436496713436 (1.9846e-09% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.006436496673629 (7.95122e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.006436496632912 (8.13306e-10% change)
large trace change predicted (2.20207e-09%)
linmin: converged after 4 iterations.
iteration 19: trace = 5.006436496522667 (2.20205e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.006436496410069 (2.24906e-09% change)
linmin: converged after 8 iterations.
iteration 21: trace = 5.006436496357248 (1.05508e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.00643649634443 (2.56016e-10% change)
linmin: converged after 15 iterations.
iteration 23: trace = 5.00643649634139 (6.07265e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.3490474224090576
Fixing h-field (band 1) phase by 1 + 2.68134e-16i; max ampl. = 4.46619
Fixing h-field (band 2) phase by 1 + -6.0366e-12i; max ampl. = 1.51506
Fixing h-field (band 3) phase by 1 + -3.86248e-15i; max ampl. = 1.66014
Fixing h-field (band 4) phase by -1 + -1.69173e-12i; max ampl. = 1.64641
Fixing h-field (band 5) phase by 6.05644e-15 + -1i; max ampl. = 3.54599
Fixing h-field (band 6) phase by 6.38217e-13 + 1i; max ampl. = 4.96988
Fixing h-field (band 7) phase by -3.83599e-15 + -1i; max ampl. = 3.72139
Fixing h-field (band 8) phase by 1 + -5.64393e-15i; max ampl. = 4.85167
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750395213 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350116369 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668860984 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201928327 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.975999205361087 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191053 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125455 (4.0958e-05% change)
linmin: converged after 22 iterations.
iteration 8: trace = 4.97598446244914 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964184 (2.30075e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.975984301211344 (9.3957e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.975984281705329 (3.92003e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.975984271802615 (1.9901e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495479 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162569 (2.67869e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893697 (5.40339e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819593 (1.48924e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.975984265774329 (9.09636e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.97598426570684 (1.3563e-09% change)
large trace change predicted (3.4883e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533267 (3.48822e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.97598426542687 (2.1382e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393326 (6.74115e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.975984265384496 (1.77458e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.975984265381783 (5.45296e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.18965816497802734
Fixing h-field (band 1) phase by 1 + 4.59531e-16i; max ampl. = 4.70977
Fixing h-field (band 2) phase by 1 + 3.56321e-14i; max ampl. = 1.38038
Fixing h-field (band 3) phase by -3.00373e-14 + 1i; max ampl. = 1.85505
Fixing h-field (band 4) phase by 1 + -1.12741e-10i; max ampl. = 1.90199
Fixing h-field (band 5) phase by -1 + 1.67001e-14i; max ampl. = 3.83362
Fixing h-field (band 6) phase by 1.27634e-11 + 1i; max ampl. = 4.82728
Fixing h-field (band 7) phase by -1.93784e-12 + -1i; max ampl. = 5.11981
Fixing h-field (band 8) phase by 1 + 1.29522e-14i; max ampl. = 4.68981
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647620472 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694840728 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796214106 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352526 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550591 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602301 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251284 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323867 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 26 iterations.
iteration 11: trace = 5.03637849730083 (1.27317e-06% change)
linmin: converged after 6 iterations.
iteration 12: trace = 5.036378484106185 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.03637848012837 (1.55434e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.036378479954637 (3.44956e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.036378479909357 (8.99063e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898018 (2.25132e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895268 (5.46164e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.1656508445739746
Fixing h-field (band 1) phase by 1 + -1.62776e-16i; max ampl. = 3.59873
Fixing h-field (band 2) phase by 1 + -1.61911e-16i; max ampl. = 3.10702
Fixing h-field (band 3) phase by -7.36723e-10 + -1i; max ampl. = 1.92561
Fixing h-field (band 4) phase by -9.49411e-16 + -1i; max ampl. = 1.49149
Fixing h-field (band 5) phase by 2.94781e-15 + 1i; max ampl. = 3.30734
Fixing h-field (band 6) phase by -2.77483e-11 + -1i; max ampl. = 5.21642
Fixing h-field (band 7) phase by -3.16986e-15 + 1i; max ampl. = 3.66792
Fixing h-field (band 8) phase by 1 + -1.08633e-09i; max ampl. = 4.83365
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.21913235216869 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319364 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516376 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.207407191118343 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347182 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445572 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487716 (0.00102469% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.206579319181463 (0.00049% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.206571394211532 (0.000152211% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.206567821670567 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.206566435491536 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.206566313192129 (3.94601e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.206566308082154 (9.81448e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.206566306507296 (3.02475e-08% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.206566306040202 (8.97126e-09% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.206566305927633 (2.16205e-09% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.206566305900049 (5.29796e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.206566305893731 (1.21339e-10% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.206566305891691 (3.91841e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.21529221534729004
Fixing h-field (band 1) phase by 1 + 7.58827e-17i; max ampl. = 1.81199
Fixing h-field (band 2) phase by -1 + -3.10572e-16i; max ampl. = 4.51433
Fixing h-field (band 3) phase by -1.25666e-09 + 1i; max ampl. = 2.16532
Fixing h-field (band 4) phase by 2.53743e-14 + 1i; max ampl. = 3.56127
Fixing h-field (band 5) phase by 5.3903e-15 + 1i; max ampl. = 2.47045
Fixing h-field (band 6) phase by 8.46556e-10 + 1i; max ampl. = 5.05859
Fixing h-field (band 7) phase by -1.46167e-13 + -1i; max ampl. = 3.23411
Fixing h-field (band 8) phase by 1 + -1.07897e-09i; max ampl. = 4.7734
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756299449 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812747131 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622418965 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356552479 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971081 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855458 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333392 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575112 (0.00709503% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.41726912939795 (0.00376953% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.417145557811478 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895428 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169108 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464907005 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745807 (1.92569e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
linmin: converged after 16 iterations.
iteration 17: trace = 5.417088812132397 (8.50554e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.417088788744922 (4.31735e-07% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.417088776389871 (2.28075e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.417088770680235 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321152 (4.35489e-08% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.417088767370208 (1.75545e-08% change)
linmin: converged after 8 iterations.
iteration 23: trace = 5.417088766928411 (8.15561e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.417088766681355 (4.56067e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.417088766554602 (2.33989e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.417088766462994 (1.69109e-09% change)
linmin: converged after 8 iterations.
iteration 27: trace = 5.417088766423699 (7.25386e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.41708876641256 (2.05637e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.417088766409227 (6.15173e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.8593013286590576
Fixing h-field (band 1) phase by 1 + -1.02199e-16i; max ampl. = 1.2604
Fixing h-field (band 2) phase by -1 + -5.27148e-17i; max ampl. = 4.86397
Fixing h-field (band 3) phase by -6.75994e-10 + 1i; max ampl. = 2.6696
Fixing h-field (band 4) phase by -3.61395e-15 + 1i; max ampl. = 3.93612
Fixing h-field (band 5) phase by 1.35722e-10 + -1i; max ampl. = 4.6489
Fixing h-field (band 6) phase by 3.00373e-14 + -1i; max ampl. = 2.84446
Fixing h-field (band 7) phase by -1 + 7.22546e-15i; max ampl. = 3.74182
Fixing h-field (band 8) phase by -1 + 7.18452e-11i; max ampl. = 4.03853
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178966252 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.549498902366905 (0.909518% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.534363640700966 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903154754 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.52412996609098 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061860146 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055215829 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882379386 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699667624 (0.00194077% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.522540696465857 (0.00197377% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.522446530191621 (0.00170514% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.522358366920805 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787116066 (0.00104267% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.522279640461643 (0.000382933% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.522271218167427 (0.000152515% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.522268619549674 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291797 (1.19744e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.522267758808093 (3.61235e-06% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.522267691563139 (1.21771e-06% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.522267667644009 (4.3314e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.522267656937707 (1.93875e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.522267653032022 (7.07261e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.522267650434978 (4.70286e-08% change)
linmin: converged after 8 iterations.
iteration 24: trace = 5.522267648929224 (2.7267e-08% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.52226764812226 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457968 (1.20293e-08% change)
linmin: converged after 21 iterations.
iteration 27: trace = 5.52226764682253 (1.15068e-08% change)
linmin: converged after 5 iterations.
iteration 28: trace = 5.522267646290366 (9.63669e-09% change)
linmin: converged after 6 iterations.
iteration 29: trace = 5.522267645965354 (5.88548e-09% change)
linmin: converged after 20 iterations.
iteration 30: trace = 5.522267645803387 (2.93299e-09% change)
linmin: converged after 9 iterations.
iteration 31: trace = 5.522267645716794 (1.56807e-09% change)
linmin: converged after 13 iterations.
iteration 32: trace = 5.522267645679253 (6.79805e-10% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.522267645667594 (2.11129e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.522267645664733 (5.18213e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.4000113010406494
Fixing h-field (band 1) phase by 1 + 2.70996e-16i; max ampl. = 1.05606
Fixing h-field (band 2) phase by -1 + 1.12018e-15i; max ampl. = 5.06002
Fixing h-field (band 3) phase by -5.14782e-10 + 1i; max ampl. = 3.59476
Fixing h-field (band 4) phase by -1.96012e-14 + 1i; max ampl. = 4.14887
Fixing h-field (band 5) phase by -1 + -1.73064e-09i; max ampl. = 1.36944
Fixing h-field (band 6) phase by -8.62145e-14 + -1i; max ampl. = 3.24838
Fixing h-field (band 7) phase by -6.00378e-11 + 1i; max ampl. = 2.57459
Fixing h-field (band 8) phase by -1 + -1.49798e-14i; max ampl. = 4.85277
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343686153 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468803457 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640948285 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172751885 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736264788 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107767956 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885897365 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.569460656418613 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938949176 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951399634 (0.00100529% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.569256880777268 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664429506 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.56913350253128 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283162064 (0.00806656% change)
near maximum in trace
linmin: converged after 14 iterations.
iteration 15: trace = 5.566399673346653 (0.0410344% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.565541201915931 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389178356 (0.0149469% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.563783785228282 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.56266800884599 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637722995 (0.0242606% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.559813631093034 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618543751 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.55696024491716 (0.0243696% change)
linmin: converged after 7 iterations.
iteration 24: trace = 5.55578958693094 (0.0210687% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.554798721044623 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994114235886 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035979616 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676979562 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555838245825 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254970061278 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060972303 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956976141 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.5514735904469 (0.00441975% change)
linmin: converged after 5 iterations.
iteration 34: trace = 5.551249526790848 (0.00403619% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.551047677416069 (0.00363617% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.550864325188476 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695189084933 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717959401 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390745028214 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430583462 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903555643 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.55000442186271 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461721015 (0.00203534% change)
linmin: converged after 7 iterations.
iteration 44: trace = 5.549785756757526 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477705529 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.54959723163614 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515438068885 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441431044415 (0.00133359% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300655062 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308832009439 (0.00116174% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789728103 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187393154708 (0.00107036% change)
linmin: converged after 4 iterations.
iteration 53: trace = 5.549131424712385 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078954359294 (0.000945564% change)
linmin: converged after 11 iterations.
iteration 55: trace = 5.54902921463523 (0.000896364% change)
linmin: converged after 4 iterations.
iteration 56: trace = 5.548981603661867 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.548936441687392 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438719772 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547255047 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214518713 (0.000671457% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940675959 (0.000671746% change)
linmin: converged after 3 iterations.
iteration 62: trace = 5.548742719294887 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704070260372 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460704889 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631158058219 (0.000636239% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782969059 (0.000583481% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723992518 (0.000523719% change)
linmin: converged after 3 iterations.
iteration 68: trace = 5.548544403459734 (0.000456344% change)
linmin: converged after 4 iterations.
iteration 69: trace = 5.548522919797842 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 6 iterations.
iteration 70: trace = 5.548329976785977 (0.00347744% change)
linmin: converged after 5 iterations.
iteration 71: trace = 5.548232222557171 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081094981 (0.00093979% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.548158373791001 (0.000391252% change)
linmin: converged after 3 iterations.
iteration 74: trace = 5.548148375773933 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473804 (6.67304e-05% change)
linmin: converged after 5 iterations.
iteration 76: trace = 5.548141864891585 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837045155 (5.45741e-05% change)
linmin: converged after 5 iterations.
iteration 78: trace = 5.548134589430296 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746382553 (0.000105316% change)
linmin: converged after 6 iterations.
iteration 80: trace = 5.548123649319649 (9.187e-05% change)
linmin: converged after 3 iterations.
iteration 81: trace = 5.548120939114302 (4.88491e-05% change)
linmin: converged after 3 iterations.
iteration 82: trace = 5.548119009803089 (3.47741e-05% change)
linmin: converged after 4 iterations.
iteration 83: trace = 5.548118262534494 (1.34689e-05% change)
linmin: converged after 12 iterations.
iteration 84: trace = 5.548117907882101 (6.3923e-06% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.548117802015866 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.548117741686889 (1.08738e-06% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.548117729428173 (2.20953e-07% change)
linmin: converged after 4 iterations.
iteration 88: trace = 5.548117726415585 (5.42993e-08% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.548117725588884 (1.49006e-08% change)
linmin: converged after 4 iterations.
iteration 90: trace = 5.54811772537285 (3.89381e-09% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.548117725334794 (6.85922e-10% change)
linmin: converged after 16 iterations.
iteration 92: trace = 5.548117725327052 (1.39547e-10% change)
linmin: converged after 16 iterations.
iteration 93: trace = 5.548117725324992 (3.7124e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.6170637607574463
Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1
Fixing h-field (band 2) phase by 1 + 1.5467e-14i; max ampl. = 5.12967
Fixing h-field (band 3) phase by 8.70998e-12 + 1i; max ampl. = 4.27896
Fixing h-field (band 4) phase by 1.46285e-09 + 1i; max ampl. = 4.27882
Fixing h-field (band 5) phase by 1 + 8.44008e-09i; max ampl. = 1.75894
Fixing h-field (band 6) phase by 1.35168e-11 + -1i; max ampl. = 3.7555
Fixing h-field (band 7) phase by 5.03314e-11 + -1i; max ampl. = 3.75555
Fixing h-field (band 8) phase by 1 + 2.74593e-14i; max ampl. = 4.48388
.Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.496835864744899 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4415884497225445 at Vector3<0.5, 0.0, 0.0> to 0.593140514116089 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117835 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069754 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757003 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677103 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502159 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585589 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8819770916660669 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650205 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.8819818134421844 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594152 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0878689635052694 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.593140514116089) to band 3 (0.5931535863117835), 0.002203870977651936%
Gap from band 4 (0.8096891551677103) to band 5 (0.8241814443502159), 1.7739824912427593%
Gap from band 7 (1.0860729323594152) to band 8 (1.0878689635052694), 0.16523267243441003%
total elapsed time for run: 7.03402853012085
done
/tmp/meepNmMUdV/test_get_eigenvectors-0: 7.05s
/tmp/meepNmMUdV/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: 0.07460665702819824
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.308361291885376
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.9988245964050293
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.22420430183410645
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.2021634578704834
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.22439146041870117
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.45590877532958984
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.2704455852508545
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.23395991325378418
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.20765089988708496
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.23996567726135254
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.23604178428649902
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.14111876487731934
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.6441795825958252
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.23695921897888184
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.4023928642272949
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.8547177314758301
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 5.958115100860596
done
Fixing h-field (band 8) phase by -1 + 2.61271e-07i; max ampl. = 4.48388
./tmp/meepNmMUdV/test_get_hfield-0: 5.96s
/tmp/meepNmMUdV/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: 0.004934072494506836
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 13.46696798403985 (196.169% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.440830280549298 (84.8976% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.843527011222883 (11.6158% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.66870088544199 (3.67582% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.608869323792535 (1.28981% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.588596019692758 (0.440845% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.580741637917265 (0.171318% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.578987295161925 (0.0383056% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.578322878448378 (0.0145112% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.578003942463452 (0.00696646% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.577929653765434 (0.00162274% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.577907037545209 (0.000494028% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.577897255801765 (0.000213673% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.577895086336243 (4.739e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.577894696365689 (8.51856e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.577894636935326 (1.2982e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.577894629221467 (1.68502e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.57789462756871 (3.6103e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.577894626939197 (1.37511e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.577894626693616 (5.3645e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 4.577894626612534 (1.77116e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.577894626584479 (6.12834e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.577894626574802 (2.11398e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.5778946265728 (4.37309e-11% change)
Finished solving for bands 2 to 8 after 24 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.2920510768890381
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.573594159720262 (1.05882% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.553362423580538 (0.44334% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.549198778889009 (0.0914829% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.547235691259334 (0.0431617% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.546720480078173 (0.0113308% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.546675795887485 (0.000982783% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.546668812199721 (0.0001536% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.546667474444718 (2.94228e-05% change)
linmin: converged after 14 iterations.
iteration 9: trace = 4.546667093982197 (8.36794e-06% change)
linmin: converged after 9 iterations.
iteration 10: trace = 4.546667026314714 (1.48829e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.546667010167351 (3.55147e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.546667005947772 (9.2806e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.546667004173658 (3.90201e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.546667003528522 (1.41892e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.546667003425869 (2.25776e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 4.54666700341108 (3.25273e-10% change)
linmin: converged after 6 iterations.
iteration 17: trace = 4.546667003406387 (1.03202e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.546667003404458 (4.24294e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637
elapsed time for k point: 0.16301512718200684
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.480154501467132 (1.0243% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.462951577209417 (0.384719% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.458417513621942 (0.101645% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.456998073935472 (0.0318424% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.456802317102539 (0.00439222% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.456776714934252 (0.000574453% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.456772279362192 (9.95243e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.456771848143078 (9.67559e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.45677180550385 (9.56729e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.456771799201279 (1.41416e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.45677179734536 (4.16427e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.456771796664022 (1.52877e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.456771796571509 (2.07578e-09% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.45677179656453 (1.566e-10% change)
linmin: converged after 10 iterations.
iteration 15: trace = 4.456771796562707 (4.08938e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281
elapsed time for k point: 0.13582849502563477
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.372440119410638 (0.691847% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.36628268566883 (0.140923% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.364947654944968 (0.0305806% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.3646267634637 (0.00735182% change)
linmin: converged after 8 iterations.
iteration 5: trace = 4.364572744594435 (0.00123766% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.364566107346525 (0.000152071% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.364565316740353 (1.81142e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.364565239126187 (1.77828e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.364565234500088 (1.05992e-07% change)
linmin: converged after 16 iterations.
iteration 10: trace = 4.364565233724118 (1.77789e-08% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.364565233381509 (7.8498e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.364565233306729 (1.71333e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.364565233299629 (1.62676e-10% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.364565233298256 (3.14607e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598
elapsed time for k point: 0.1272718906402588
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.308394919604914 (0.552361% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.304883211984217 (0.0815417% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.304231324865023 (0.0151441% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.304101774804954 (0.00300988% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.304072509722032 (0.000679937% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.304070117659418 (5.55767e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.304069984297111 (3.09852e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.304069968915966 (3.57363e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.304069965945501 (6.90153e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.304069964779024 (2.71017e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.304069964479551 (6.95791e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.304069964440697 (9.02712e-10% change)
linmin: converged after 15 iterations.
iteration 13: trace = 4.304069964437605 (7.18332e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409
elapsed time for k point: 0.2588372230529785
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.287294007238569 (0.514399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.284124961328378 (0.0739445% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283595116492505 (0.0123684% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.283502303118701 (0.00216674% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.283478596024282 (0.000553453% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.283477154458746 (3.36541e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.283477077810691 (1.78939e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283477070330028 (1.7464e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283477066817817 (8.19944e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.283477065770438 (2.44516e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.283477065633829 (3.18919e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.283477065618206 (3.64749e-10% change)
linmin: converged after 7 iterations.
iteration 13: trace = 4.283477065616429 (4.147e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087
elapsed time for k point: 0.0992431640625
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.276566747825642 (0.530593% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.266858088831401 (0.227278% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.264882331994833 (0.0463154% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.264548458692772 (0.00782874% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.26448873054892 (0.00140058% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.264476449097828 (0.000287994% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.264474782181725 (3.90884e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.264474642738402 (3.26988e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.264474631967129 (2.52581e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.264474631257338 (1.66443e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.264474631203496 (1.26258e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.264474631199774 (8.72667e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895
elapsed time for k point: 0.3002924919128418
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.232489072565435 (0.358169% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.229105412374738 (0.0799769% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.228655882204028 (0.01063% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.228604967100097 (0.00120406% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.228597156343838 (0.000184713% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.228595847507816 (3.0952e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.228595668484545 (4.23363e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.22859565366972 (3.50349e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.228595652361877 (3.09285e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.2285956522714 (2.13965e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.228595652264813 (1.55766e-10% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.228595652264468 (8.17059e-12% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413
elapsed time for k point: 0.11918020248413086
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.198038763849336 (0.248355% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.19670478415921 (0.0317813% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.196585228731932 (0.00284883% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.196578318037075 (0.000164674% change)
linmin: converged after 11 iterations.
iteration 5: trace = 4.196577861660904 (1.0875e-05% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.196577824465233 (8.86333e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.196577821831923 (6.2749e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.196577821279777 (1.31571e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.196577821233545 (1.10167e-09% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.19657782122971 (9.13665e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487
elapsed time for k point: 0.10193514823913574
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.176560952862092 (0.20622% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.175731928735225 (0.0198514% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.175658188677833 (0.00176593% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.175652343488816 (0.000139983% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.175651823639798 (1.24495e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.175651765087073 (1.40224e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.175651761832766 (7.79353e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.175651761361387 (1.12888e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.175651761335724 (6.14587e-10% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.17565176133351 (5.30059e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597
elapsed time for k point: 0.22748351097106934
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.169192632974824 (0.188262% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.168494135847979 (0.0167552% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.168418925223788 (0.00180428% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.16841215172734 (0.000162496% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.168411725528161 (1.02245e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.168411690634318 (8.37102e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.168411689651686 (2.35733e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.168411689612855 (9.31558e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.168411689609144 (8.90221e-11% change)
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925
elapsed time for k point: 0.07581520080566406
Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911
Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316
Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953
Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657
Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168
Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186
Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881
Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.201218407861227 (0.720819% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.198256255957316 (0.0705318% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.197890564842538 (0.00871093% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.197857649510745 (0.000784095% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.197854429378013 (7.6709e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.197854075525584 (8.42936e-06% change)
linmin: converged after 6 iterations.
iteration 7: trace = 4.197854052380286 (5.5136e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.19785405041534 (4.68084e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.197854050317016 (2.34224e-09% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.197854050309862 (1.70427e-10% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.197854050309301 (1.33506e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925
elapsed time for k point: 0.08998894691467285
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.288243522338975 (0.732668% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.283958408011071 (0.099977% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283371588299238 (0.013699% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.28328143883801 (0.00210466% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.283267824693607 (0.000317844% change)
linmin: converged after 13 iterations.
iteration 6: trace = 4.283266579370459 (2.90741e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.283266497834244 (1.9036e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283266490102648 (1.80507e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.28326648909319 (2.35675e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.283266489000648 (2.16055e-09% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.28326648899116 (2.21523e-10% change)
linmin: converged after 15 iterations.
iteration 12: trace = 4.283266488990682 (1.1156e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199
elapsed time for k point: 0.26351118087768555
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.420129679059331 (0.818903% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.412260674164541 (0.178185% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.410633634426008 (0.0368822% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.410197926814329 (0.00987906% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.410114427040234 (0.00189335% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.410103889016637 (0.000238952% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.410102421711944 (3.32714e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.410102293698953 (2.90272e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.410102277309543 (3.71633e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.410102274815385 (5.65556e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.410102274561978 (5.74606e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.410102274546349 (3.54397e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.410102274545235 (2.52551e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113
elapsed time for k point: 0.10296440124511719
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.56332893210122 (1.027% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.544560398258204 (0.412138% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.537741031323309 (0.150168% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.535260913319919 (0.0546703% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.534595991553311 (0.0146622% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.534531477384966 (0.00142272% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.534520999244496 (0.000231075% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.534518657738523 (5.16374e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.534517831347478 (1.82245e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.5345176853933 (3.21874e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.534517644423106 (9.03518e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.534517627208904 (3.79626e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.534517623618736 (7.91742e-08% change)
linmin: converged after 19 iterations.
iteration 14: trace = 4.534517622906266 (1.57121e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.534517622781559 (2.75018e-09% change)
linmin: converged after 19 iterations.
iteration 16: trace = 4.534517622760763 (4.58611e-10% change)
linmin: converged after 10 iterations.
iteration 17: trace = 4.534517622757205 (7.84657e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149
elapsed time for k point: 0.1448068618774414
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.620932082273765 (1.44492% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.585858477330484 (0.761907% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.579350993234657 (0.142004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.57821177137969 (0.0248805% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.577956393189917 (0.00557828% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.577915173102073 (0.000900408% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.577900193795438 (0.000327209% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.577895724955971 (9.76177e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.577894738564436 (2.15468e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.577894647524323 (1.98869e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.577894631981872 (3.39511e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.577894627560068 (9.65903e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.577894626684429 (1.91275e-08% change)
linmin: converged after 8 iterations.
iteration 14: trace = 4.577894626586343 (2.1426e-09% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.57789462657365 (2.77266e-10% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.577894626572485 (2.54547e-11% change)
Finished solving for bands 2 to 8 after 16 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.09458589553833008
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0>
Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639%
Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028%
Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756%
Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697%
Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908%
total elapsed time for run: 2.6082816123962402
done
Read lattice vectors
Read Bloch wavevector (-0.333333, 0.333333, 0)
Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1)
Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3)
Found complex vector dataset...
Input data is rank 2, size 32x32x1.
Rotating vectors by matrix [ 0.8660254038, 0.5, -0
0.5, -0.8660254038, -0
-0, -0, 1 ]
Output data 96x83x1.
real part range: 0 .. 0
imag part range: 0 .. 0
real part range: 0 .. 0
imag part range: 0 .. 0
real part range: -1.03932 .. 1.03493
imag part range: -1.08496 .. 1.08496
./tmp/meepNmMUdV/test_handle_cvector-0: 2.67s
/tmp/meepNmMUdV/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: 0.004812479019165039
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10
Solving for bands 2 to 10...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 46.67690825536697 (188.044% change)
linmin: converged after 7 iterations.
iteration 2: trace = 20.87201589192827 (76.4036% change)
linmin: converged after 7 iterations.
iteration 3: trace = 17.90281367460767 (15.3151% change)
linmin: converged after 5 iterations.
iteration 4: trace = 16.44745359328688 (8.47365% change)
linmin: converged after 7 iterations.
iteration 5: trace = 15.5750362373405 (5.44878% change)
linmin: converged after 6 iterations.
iteration 6: trace = 14.93685931304165 (4.18314% change)
linmin: converged after 6 iterations.
iteration 7: trace = 14.66427204238656 (1.84174% change)
large trace change predicted (3.90566%)
linmin: converged after 5 iterations.
iteration 8: trace = 14.03803968889915 (4.36364% change)
linmin: converged after 7 iterations.
iteration 9: trace = 13.72475703230866 (2.25685% change)
linmin: converged after 7 iterations.
iteration 10: trace = 13.4449672083815 (2.05957% change)
linmin: converged after 5 iterations.
iteration 11: trace = 13.0870945783322 (2.69766% change)
linmin: converged after 7 iterations.
iteration 12: trace = 12.85444592480164 (1.79364% change)
linmin: converged after 5 iterations.
iteration 13: trace = 12.55657794573715 (2.3444% change)
linmin: converged after 5 iterations.
iteration 14: trace = 12.19678335232455 (2.90704% change)
linmin: converged after 5 iterations.
iteration 15: trace = 11.817127356126 (3.16197% change)
linmin: converged after 6 iterations.
iteration 16: trace = 11.41216613217043 (3.48664% change)
linmin: converged after 6 iterations.
iteration 17: trace = 10.90973444709829 (4.50169% change)
linmin: converged after 8 iterations.
iteration 18: trace = 10.44959834770915 (4.30853% change)
linmin: converged after 6 iterations.
iteration 19: trace = 9.946119538511061 (4.9371% change)
linmin: converged after 8 iterations.
iteration 20: trace = 9.604108830354809 (3.49879% change)
linmin: converged after 7 iterations.
iteration 21: trace = 9.066211154753766 (5.76206% change)
linmin: converged after 7 iterations.
iteration 22: trace = 8.754783602261236 (3.49506% change)
linmin: converged after 7 iterations.
iteration 23: trace = 8.366907757286732 (4.53081% change)
linmin: converged after 7 iterations.
iteration 24: trace = 8.082023298863596 (3.46387% change)
linmin: converged after 6 iterations.
iteration 25: trace = 7.760859523338256 (4.05436% change)
linmin: converged after 7 iterations.
iteration 26: trace = 7.505495027457722 (3.34545% change)
linmin: converged after 6 iterations.
iteration 27: trace = 7.127999012116943 (5.15934% change)
linmin: converged after 5 iterations.
iteration 28: trace = 6.950727449789542 (2.51829% change)
linmin: converged after 6 iterations.
iteration 29: trace = 6.788207341134048 (2.36583% change)
linmin: converged after 5 iterations.
iteration 30: trace = 6.663378886500324 (1.85597% change)
linmin: converged after 9 iterations.
iteration 31: trace = 6.387397232057848 (4.22935% change)
linmin: converged after 6 iterations.
iteration 32: trace = 6.077629971505896 (4.97018% change)
linmin: converged after 9 iterations.
iteration 33: trace = 5.845265325318604 (3.89779% change)
linmin: converged after 8 iterations.
iteration 34: trace = 5.676181980332874 (2.93511% change)
linmin: converged after 7 iterations.
iteration 35: trace = 5.533824091957901 (2.53984% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.376187992969611 (2.88975% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.264316051277635 (2.10276% change)
linmin: converged after 7 iterations.
iteration 38: trace = 5.138003198273514 (2.42855% change)
linmin: converged after 9 iterations.
iteration 39: trace = 5.056109244736515 (1.60669% change)
linmin: converged after 5 iterations.
iteration 40: trace = 4.96640635692655 (1.79003% change)
linmin: converged after 5 iterations.
iteration 41: trace = 4.865793975441762 (2.04659% change)
linmin: converged after 10 iterations.
iteration 42: trace = 4.755591673881687 (2.29078% change)
linmin: converged after 7 iterations.
iteration 43: trace = 4.669631009233785 (1.82406% change)
linmin: converged after 6 iterations.
iteration 44: trace = 4.618919977696827 (1.0919% change)
linmin: converged after 4 iterations.
iteration 45: trace = 4.558826432308583 (1.30955% change)
linmin: converged after 6 iterations.
iteration 46: trace = 4.516268882119356 (0.937898% change)
linmin: converged after 7 iterations.
iteration 47: trace = 4.466856007911902 (1.10013% change)
linmin: converged after 5 iterations.
iteration 48: trace = 4.402172774800399 (1.45863% change)
linmin: converged after 5 iterations.
iteration 49: trace = 4.348894252901269 (1.21765% change)
linmin: converged after 7 iterations.
iteration 50: trace = 4.277264325113683 (1.66076% change)
linmin: converged after 6 iterations.
iteration 51: trace = 4.218023521151729 (1.39467% change)
linmin: converged after 4 iterations.
iteration 52: trace = 4.155509146446154 (1.49314% change)
linmin: converged after 7 iterations.
iteration 53: trace = 4.094397865629504 (1.4815% change)
linmin: converged after 6 iterations.
iteration 54: trace = 4.000042646124126 (2.33136% change)
linmin: converged after 5 iterations.
iteration 55: trace = 3.922502375777396 (1.95746% change)
linmin: converged after 8 iterations.
iteration 56: trace = 3.850087977642069 (1.86333% change)
linmin: converged after 6 iterations.
iteration 57: trace = 3.791821624777387 (1.52492% change)
linmin: converged after 4 iterations.
iteration 58: trace = 3.753050559196221 (1.02775% change)
linmin: converged after 4 iterations.
iteration 59: trace = 3.719648583891644 (0.893974% change)
linmin: converged after 6 iterations.
iteration 60: trace = 3.691349095548178 (0.763716% change)
linmin: converged after 6 iterations.
iteration 61: trace = 3.665517519433416 (0.702244% change)
linmin: converged after 6 iterations.
iteration 62: trace = 3.642774781668295 (0.622382% change)
linmin: converged after 5 iterations.
iteration 63: trace = 3.621632100674366 (0.58209% change)
linmin: converged after 6 iterations.
iteration 64: trace = 3.604354196362829 (0.478216% change)
linmin: converged after 4 iterations.
iteration 65: trace = 3.588974644489242 (0.427606% change)
linmin: converged after 6 iterations.
iteration 66: trace = 3.575630701311873 (0.372496% change)
linmin: converged after 5 iterations.
iteration 67: trace = 3.563562012836774 (0.338097% change)
linmin: converged after 6 iterations.
iteration 68: trace = 3.551359767065565 (0.343004% change)
linmin: converged after 5 iterations.
iteration 69: trace = 3.53957597962671 (0.332362% change)
resetting CG direction...
large trace change predicted (2.94866%)
linmin: converged after 5 iterations.
iteration 70: trace = 3.431405003635064 (3.10346% change)
linmin: converged after 4 iterations.
iteration 71: trace = 3.364606294579976 (1.96582% change)
linmin: converged after 5 iterations.
iteration 72: trace = 3.333178665740302 (0.938448% change)
linmin: converged after 4 iterations.
iteration 73: trace = 3.327511280245435 (0.170174% change)
large trace change predicted (0.554837%)
linmin: converged after 5 iterations.
iteration 74: trace = 3.308395715525537 (0.576125% change)
linmin: converged after 8 iterations.
iteration 75: trace = 3.303101951303574 (0.160138% change)
linmin: converged after 5 iterations.
iteration 76: trace = 3.295500074315358 (0.230409% change)
linmin: converged after 4 iterations.
iteration 77: trace = 3.288073495842476 (0.225609% change)
linmin: converged after 5 iterations.
iteration 78: trace = 3.281432446120908 (0.202178% change)
linmin: converged after 8 iterations.
iteration 79: trace = 3.268340887157027 (0.399756% change)
linmin: converged after 4 iterations.
iteration 80: trace = 3.26333711864942 (0.153215% change)
large trace change predicted (0.729754%)
linmin: converged after 6 iterations.
iteration 81: trace = 3.239916634185125 (0.72027% change)
linmin: converged after 5 iterations.
iteration 82: trace = 3.220325582509675 (0.606511% change)
linmin: converged after 4 iterations.
iteration 83: trace = 3.198541199516161 (0.678761% change)
linmin: converged after 6 iterations.
iteration 84: trace = 3.177521855519817 (0.65932% change)
linmin: converged after 5 iterations.
iteration 85: trace = 3.158689262575439 (0.594443% change)
linmin: converged after 6 iterations.
iteration 86: trace = 3.124351495816897 (1.09303% change)
linmin: converged after 5 iterations.
iteration 87: trace = 3.115938027466064 (0.26965% change)
large trace change predicted (0.805529%)
linmin: converged after 4 iterations.
iteration 88: trace = 3.091192367895892 (0.79733% change)
linmin: converged after 4 iterations.
iteration 89: trace = 3.081043061865528 (0.32887% change)
linmin: converged after 7 iterations.
iteration 90: trace = 3.068577947245625 (0.405395% change)
linmin: converged after 4 iterations.
iteration 91: trace = 3.058935671134534 (0.314721% change)
linmin: converged after 5 iterations.
iteration 92: trace = 3.051808416393726 (0.23327% change)
linmin: converged after 5 iterations.
iteration 93: trace = 3.039400857003012 (0.407392% change)
linmin: converged after 6 iterations.
iteration 94: trace = 3.036435735111632 (0.0976037% change)
large trace change predicted (0.289199%)
linmin: converged after 5 iterations.
iteration 95: trace = 3.027689303568482 (0.288465% change)
linmin: converged after 4 iterations.
iteration 96: trace = 3.025436184437964 (0.0744448% change)
linmin: converged after 5 iterations.
iteration 97: trace = 3.022123331503703 (0.10956% change)
linmin: converged after 8 iterations.
iteration 98: trace = 3.01955768263848 (0.0849316% change)
linmin: converged after 8 iterations.
iteration 99: trace = 3.017617428696139 (0.0642769% change)
large trace change predicted (0.199214%)
linmin: converged after 6 iterations.
iteration 100: trace = 3.01170284730482 (0.196194% change)
linmin: converged after 6 iterations.
iteration 101: trace = 3.008822240665896 (0.0956929% change)
large trace change predicted (0.494578%)
linmin: converged after 8 iterations.
iteration 102: trace = 2.993101172329537 (0.523868% change)
large trace change predicted (2.76671%)
linmin: converged after 11 iterations.
iteration 103: trace = 2.971608131661818 (0.720674% change)
linmin: converged after 6 iterations.
iteration 104: trace = 2.966426372018933 (0.174528% change)
linmin: converged after 7 iterations.
iteration 105: trace = 2.962577335962634 (0.129838% change)
linmin: converged after 4 iterations.
iteration 106: trace = 2.959663814503978 (0.0983925% change)
linmin: converged after 4 iterations.
iteration 107: trace = 2.957614268408919 (0.0692733% change)
linmin: converged after 6 iterations.
iteration 108: trace = 2.956028315577791 (0.0536371% change)
linmin: converged after 4 iterations.
iteration 109: trace = 2.954446828534768 (0.0535147% change)
linmin: converged after 4 iterations.
iteration 110: trace = 2.952645123350557 (0.0610014% change)
linmin: converged after 3 iterations.
iteration 111: trace = 2.950800747639175 (0.0624847% change)
linmin: converged after 5 iterations.
iteration 112: trace = 2.949162679603889 (0.0555281% change)
linmin: converged after 6 iterations.
iteration 113: trace = 2.947680769585623 (0.0502611% change)
linmin: converged after 4 iterations.
iteration 114: trace = 2.946174316059846 (0.0511195% change)
linmin: converged after 5 iterations.
iteration 115: trace = 2.944665989901709 (0.0512092% change)
linmin: converged after 11 iterations.
iteration 116: trace = 2.94338718010785 (0.0434374% change)
linmin: converged after 4 iterations.
iteration 117: trace = 2.942363134458385 (0.0347975% change)
linmin: converged after 5 iterations.
iteration 118: trace = 2.941372527586286 (0.0336727% change)
linmin: converged after 6 iterations.
iteration 119: trace = 2.940247056151807 (0.0382708% change)
linmin: converged after 5 iterations.
iteration 120: trace = 2.939086120553895 (0.0394921% change)
linmin: converged after 6 iterations.
iteration 121: trace = 2.938049396688806 (0.0352799% change)
linmin: converged after 8 iterations.
iteration 122: trace = 2.937030122878281 (0.0346982% change)
linmin: converged after 5 iterations.
iteration 123: trace = 2.935785576218478 (0.0423833% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.934267173084133 (0.0517339% change)
linmin: converged after 5 iterations.
iteration 125: trace = 2.932754060489035 (0.0515803% change)
linmin: converged after 5 iterations.
iteration 126: trace = 2.931393532103366 (0.0464016% change)
linmin: converged after 6 iterations.
iteration 127: trace = 2.930046495063065 (0.0459627% change)
linmin: converged after 7 iterations.
iteration 128: trace = 2.928605619303829 (0.049188% change)
linmin: converged after 4 iterations.
iteration 129: trace = 2.927187007466751 (0.0484516% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.925926675436992 (0.0430654% change)
linmin: converged after 5 iterations.
iteration 131: trace = 2.924738662474098 (0.0406112% change)
linmin: converged after 5 iterations.
iteration 132: trace = 2.923387895027909 (0.0461949% change)
linmin: converged after 5 iterations.
iteration 133: trace = 2.921695653224211 (0.0579031% change)
linmin: converged after 6 iterations.
iteration 134: trace = 2.919768542575914 (0.0659804% change)
linmin: converged after 5 iterations.
iteration 135: trace = 2.917897153309016 (0.0641143% change)
linmin: converged after 4 iterations.
iteration 136: trace = 2.91618011679791 (0.0588623% change)
linmin: converged after 4 iterations.
iteration 137: trace = 2.914508467988806 (0.0573397% change)
linmin: converged after 4 iterations.
iteration 138: trace = 2.912776681955193 (0.0594371% change)
linmin: converged after 4 iterations.
iteration 139: trace = 2.911011678101686 (0.0606136% change)
resetting CG direction...
large trace change predicted (0.793652%)
linmin: converged after 4 iterations.
iteration 140: trace = 2.888448142915038 (0.778125% change)
large trace change predicted (2.41105%)
linmin: converged after 6 iterations.
iteration 141: trace = 2.824398529445118 (2.2423% change)
linmin: converged after 6 iterations.
iteration 142: trace = 2.788320471782379 (1.28558% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.760127495906069 (1.01625% change)
linmin: converged after 3 iterations.
iteration 144: trace = 2.74730282532291 (0.465722% change)
linmin: converged after 3 iterations.
iteration 145: trace = 2.742809408693551 (0.163691% change)
linmin: converged after 5 iterations.
iteration 146: trace = 2.736560058301035 (0.228105% change)
linmin: converged after 5 iterations.
iteration 147: trace = 2.734950336139924 (0.0588401% change)
linmin: converged after 10 iterations.
iteration 148: trace = 2.732082786847843 (0.104903% change)
linmin: converged after 4 iterations.
iteration 149: trace = 2.731340381039817 (0.0271773% change)
large trace change predicted (0.0664551%)
linmin: converged after 7 iterations.
iteration 150: trace = 2.729522755863807 (0.0665692% change)
linmin: converged after 4 iterations.
iteration 151: trace = 2.728915130841332 (0.0222637% change)
linmin: converged after 5 iterations.
iteration 152: trace = 2.727938729485695 (0.0357862% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.727649653611959 (0.0105974% change)
large trace change predicted (0.0314754%)
linmin: converged after 7 iterations.
iteration 154: trace = 2.72679207296228 (0.0314452% change)
linmin: converged after 4 iterations.
iteration 155: trace = 2.72641448325213 (0.0138484% change)
large trace change predicted (0.0747233%)
linmin: converged after 4 iterations.
iteration 156: trace = 2.724395947852308 (0.0740637% change)
linmin: converged after 5 iterations.
iteration 157: trace = 2.723688292409418 (0.0259781% change)
linmin: converged after 6 iterations.
iteration 158: trace = 2.722564803544207 (0.0412573% change)
linmin: converged after 5 iterations.
iteration 159: trace = 2.721743271194884 (0.0301795% change)
linmin: converged after 8 iterations.
iteration 160: trace = 2.720173035563441 (0.0577089% change)
linmin: converged after 4 iterations.
iteration 161: trace = 2.719127715449163 (0.0384358% change)
large trace change predicted (0.105615%)
linmin: converged after 5 iterations.
iteration 162: trace = 2.716259971523434 (0.105521% change)
linmin: converged after 8 iterations.
iteration 163: trace = 2.715293174461638 (0.0355993% change)
large trace change predicted (0.139376%)
linmin: converged after 5 iterations.
iteration 164: trace = 2.711485804408327 (0.140318% change)
linmin: converged after 6 iterations.
iteration 165: trace = 2.71054890721527 (0.0345589% change)
large trace change predicted (0.0881075%)
linmin: converged after 4 iterations.
iteration 166: trace = 2.70814144600202 (0.0888577% change)
linmin: converged after 5 iterations.
iteration 167: trace = 2.707016516787054 (0.0415474% change)
linmin: converged after 4 iterations.
iteration 168: trace = 2.705086929583155 (0.0713064% change)
linmin: converged after 4 iterations.
iteration 169: trace = 2.70424874894955 (0.0309902% change)
linmin: converged after 5 iterations.
iteration 170: trace = 2.702867000300367 (0.0511085% change)
linmin: converged after 7 iterations.
iteration 171: trace = 2.70231459664786 (0.0204398% change)
large trace change predicted (0.0431715%)
linmin: converged after 7 iterations.
iteration 172: trace = 2.701149069533886 (0.04314% change)
linmin: converged after 6 iterations.
iteration 173: trace = 2.700717618968319 (0.0159741% change)
linmin: converged after 4 iterations.
iteration 174: trace = 2.699927033421598 (0.0292775% change)
linmin: converged after 7 iterations.
iteration 175: trace = 2.699504650342186 (0.0156455% change)
linmin: converged after 5 iterations.
iteration 176: trace = 2.698895629440849 (0.022563% change)
linmin: converged after 9 iterations.
iteration 177: trace = 2.698452371038478 (0.016425% change)
linmin: converged after 4 iterations.
iteration 178: trace = 2.697994046170131 (0.0169862% change)
linmin: converged after 9 iterations.
iteration 179: trace = 2.697465372341332 (0.019597% change)
linmin: converged after 4 iterations.
iteration 180: trace = 2.696665720695167 (0.029649% change)
linmin: converged after 6 iterations.
iteration 181: trace = 2.696203232256923 (0.0171519% change)
large trace change predicted (0.0346661%)
linmin: converged after 6 iterations.
iteration 182: trace = 2.69526764984018 (0.034706% change)
linmin: converged after 6 iterations.
iteration 183: trace = 2.694439472067331 (0.0307318% change)
large trace change predicted (0.0623143%)
linmin: converged after 4 iterations.
iteration 184: trace = 2.692754916969655 (0.0625392% change)
linmin: converged after 9 iterations.
iteration 185: trace = 2.690742262506675 (0.0747713% change)
linmin: converged after 8 iterations.
iteration 186: trace = 2.687554655300269 (0.118536% change)
linmin: converged after 7 iterations.
iteration 187: trace = 2.685786652788846 (0.0658064% change)
large trace change predicted (0.272371%)
linmin: converged after 5 iterations.
iteration 188: trace = 2.678470801265393 (0.272763% change)
linmin: converged after 11 iterations.
iteration 189: trace = 2.675876930557866 (0.0968884% change)
large trace change predicted (0.339216%)
linmin: converged after 4 iterations.
iteration 190: trace = 2.666751007989556 (0.341627% change)
linmin: converged after 5 iterations.
iteration 191: trace = 2.662939772318645 (0.143019% change)
linmin: converged after 8 iterations.
iteration 192: trace = 2.6570957936969 (0.219697% change)
linmin: converged after 5 iterations.
iteration 193: trace = 2.653505191516707 (0.135224% change)
linmin: converged after 4 iterations.
iteration 194: trace = 2.648512567672112 (0.188329% change)
linmin: converged after 4 iterations.
iteration 195: trace = 2.645319307470468 (0.120641% change)
linmin: converged after 8 iterations.
iteration 196: trace = 2.643041243277609 (0.0861539% change)
linmin: converged after 5 iterations.
iteration 197: trace = 2.639075345586344 (0.150163% change)
linmin: converged after 8 iterations.
iteration 198: trace = 2.637975794917315 (0.0416729% change)
large trace change predicted (0.120109%)
linmin: converged after 4 iterations.
iteration 199: trace = 2.6347848756454 (0.121034% change)
linmin: converged after 7 iterations.
iteration 200: trace = 2.633990400174567 (0.0301579% change)
large trace change predicted (0.084429%)
linmin: converged after 3 iterations.
iteration 201: trace = 2.631748367470405 (0.0851555% change)
linmin: converged after 4 iterations.
iteration 202: trace = 2.630651395570984 (0.0416909% change)
large trace change predicted (0.0973802%)
linmin: converged after 4 iterations.
iteration 203: trace = 2.628069802659518 (0.0981833% change)
linmin: converged after 4 iterations.
iteration 204: trace = 2.626791948770913 (0.0486351% change)
large trace change predicted (0.143408%)
linmin: converged after 3 iterations.
iteration 205: trace = 2.622972464462565 (0.145511% change)
linmin: converged after 4 iterations.
iteration 206: trace = 2.62137931476261 (0.0607568% change)
large trace change predicted (0.233938%)
linmin: converged after 5 iterations.
iteration 207: trace = 2.615108862906026 (0.239491% change)
linmin: converged after 7 iterations.
iteration 208: trace = 2.612606963425868 (0.0957167% change)
large trace change predicted (0.27492%)
linmin: converged after 5 iterations.
iteration 209: trace = 2.605255134281273 (0.281795% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 210: trace = 2.602477223703874 (0.106684% change)
linmin: converged after 4 iterations.
iteration 211: trace = 2.598216037768704 (0.16387% change)
linmin: converged after 4 iterations.
iteration 212: trace = 2.595396138286241 (0.108591% change)
linmin: converged after 5 iterations.
iteration 213: trace = 2.59369065669353 (0.0657334% change)
large trace change predicted (0.153546%)
linmin: converged after 3 iterations.
iteration 214: trace = 2.589709627658045 (0.153607% change)
linmin: converged after 6 iterations.
iteration 215: trace = 2.588679155914417 (0.0397989% change)
large trace change predicted (0.210583%)
linmin: converged after 6 iterations.
iteration 216: trace = 2.583223312963154 (0.21098% change)
linmin: converged after 4 iterations.
iteration 217: trace = 2.581702254311597 (0.0588995% change)
large trace change predicted (0.132821%)
linmin: converged after 6 iterations.
iteration 218: trace = 2.578270197927912 (0.133026% change)
linmin: converged after 6 iterations.
iteration 219: trace = 2.575888725703486 (0.0924097% change)
linmin: converged after 4 iterations.
iteration 220: trace = 2.572954614756323 (0.113972% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.568436887211891 (0.175739% change)
linmin: converged after 6 iterations.
iteration 222: trace = 2.565754156116316 (0.104505% change)
large trace change predicted (0.26702%)
linmin: converged after 3 iterations.
iteration 223: trace = 2.558855227493864 (0.269247% change)
linmin: converged after 8 iterations.
iteration 224: trace = 2.555875149165833 (0.116529% change)
large trace change predicted (0.377693%)
linmin: converged after 4 iterations.
iteration 225: trace = 2.546133802956017 (0.381863% change)
linmin: converged after 5 iterations.
iteration 226: trace = 2.542348545364042 (0.148777% change)
large trace change predicted (0.354923%)
linmin: converged after 3 iterations.
iteration 227: trace = 2.533247909681618 (0.358604% change)
linmin: converged after 5 iterations.
iteration 228: trace = 2.52944056399868 (0.150408% change)
large trace change predicted (0.345371%)
linmin: converged after 3 iterations.
iteration 229: trace = 2.5206305991173 (0.348905% change)
linmin: converged after 4 iterations.
iteration 230: trace = 2.51816967107793 (0.0976791% change)
large trace change predicted (0.267835%)
linmin: converged after 4 iterations.
iteration 231: trace = 2.511377270666094 (0.2701% change)
linmin: converged after 4 iterations.
iteration 232: trace = 2.510074196505032 (0.0519003% change)
large trace change predicted (0.139196%)
linmin: converged after 3 iterations.
iteration 233: trace = 2.506567748091834 (0.139793% change)
linmin: converged after 7 iterations.
iteration 234: trace = 2.505717279703183 (0.0339354% change)
large trace change predicted (0.0884214%)
linmin: converged after 5 iterations.
iteration 235: trace = 2.503500799797439 (0.088496% change)
linmin: converged after 4 iterations.
iteration 236: trace = 2.502216521291701 (0.0513125% change)
large trace change predicted (0.11452%)
linmin: converged after 3 iterations.
iteration 237: trace = 2.499340672985017 (0.114998% change)
linmin: converged after 4 iterations.
iteration 238: trace = 2.498350428140531 (0.0396281% change)
large trace change predicted (0.14564%)
linmin: converged after 3 iterations.
iteration 239: trace = 2.494686987932495 (0.146742% change)
linmin: converged after 4 iterations.
iteration 240: trace = 2.493228520164578 (0.0584801% change)
large trace change predicted (0.142697%)
linmin: converged after 3 iterations.
iteration 241: trace = 2.48964347618776 (0.143895% change)
linmin: converged after 3 iterations.
iteration 242: trace = 2.486028881270396 (0.145291% change)
linmin: converged after 3 iterations.
iteration 243: trace = 2.483368318122671 (0.107078% change)
linmin: converged after 3 iterations.
iteration 244: trace = 2.478518622861437 (0.195478% change)
linmin: converged after 5 iterations.
iteration 245: trace = 2.477026426789863 (0.0602233% change)
large trace change predicted (0.245988%)
linmin: converged after 3 iterations.
iteration 246: trace = 2.470896088255247 (0.247794% change)
linmin: converged after 4 iterations.
iteration 247: trace = 2.468300210724617 (0.105113% change)
linmin: converged after 3 iterations.
iteration 248: trace = 2.463583629401084 (0.191269% change)
linmin: converged after 3 iterations.
iteration 249: trace = 2.46067683243128 (0.11806% change)
linmin: converged after 4 iterations.
iteration 250: trace = 2.458729894015705 (0.0791534% change)
large trace change predicted (0.169588%)
linmin: converged after 3 iterations.
iteration 251: trace = 2.454521056562851 (0.171326% change)
linmin: converged after 4 iterations.
iteration 252: trace = 2.453319030919832 (0.0489839% change)
large trace change predicted (0.15002%)
linmin: converged after 3 iterations.
iteration 253: trace = 2.4495997395669 (0.151717% change)
linmin: converged after 3 iterations.
iteration 254: trace = 2.448825957669639 (0.0315931% change)
linmin: converged after 3 iterations.
iteration 255: trace = 2.447788558849253 (0.0423721% change)
linmin: converged after 4 iterations.
iteration 256: trace = 2.447349126315899 (0.0179538% change)
linmin: converged after 6 iterations.
iteration 257: trace = 2.447071686602103 (0.011337% change)
linmin: converged after 4 iterations.
iteration 258: trace = 2.446596832689071 (0.0194069% change)
linmin: converged after 4 iterations.
iteration 259: trace = 2.446430562393578 (0.00679621% change)
large trace change predicted (0.0307962%)
linmin: converged after 10 iterations.
iteration 260: trace = 2.44567687847763 (0.0308122% change)
linmin: converged after 6 iterations.
iteration 261: trace = 2.445325345094278 (0.0143747% change)
large trace change predicted (0.05492%)
linmin: converged after 3 iterations.
iteration 262: trace = 2.443979770037124 (0.0550416% change)
linmin: converged after 4 iterations.
iteration 263: trace = 2.44305638584285 (0.0377891% change)
large trace change predicted (0.0904362%)
linmin: converged after 3 iterations.
iteration 264: trace = 2.440833015266923 (0.0910492% change)
linmin: converged after 4 iterations.
iteration 265: trace = 2.439858189144393 (0.0399462% change)
large trace change predicted (0.140562%)
linmin: converged after 3 iterations.
iteration 266: trace = 2.436397975130141 (0.141921% change)
linmin: converged after 6 iterations.
iteration 267: trace = 2.435157895183555 (0.050911% change)
large trace change predicted (0.127522%)
linmin: converged after 3 iterations.
iteration 268: trace = 2.43202617245744 (0.128687% change)
linmin: converged after 4 iterations.
iteration 269: trace = 2.430969550997157 (0.0434556% change)
large trace change predicted (0.0887546%)
linmin: converged after 3 iterations.
iteration 270: trace = 2.42880157882767 (0.0892212% change)
linmin: converged after 7 iterations.
iteration 271: trace = 2.428201456661499 (0.0247116% change)
linmin: converged after 3 iterations.
iteration 272: trace = 2.427427734478417 (0.0318691% change)
linmin: converged after 5 iterations.
iteration 273: trace = 2.427198897357013 (0.00942759% change)
large trace change predicted (0.0225412%)
linmin: converged after 3 iterations.
iteration 274: trace = 2.426651296846774 (0.0225636% change)
linmin: converged after 4 iterations.
iteration 275: trace = 2.426515350666962 (0.00560237% change)
large trace change predicted (0.0150731%)
linmin: converged after 3 iterations.
iteration 276: trace = 2.426149299236999 (0.0150866% change)
linmin: converged after 7 iterations.
iteration 277: trace = 2.42604334861077 (0.00436712% change)
large trace change predicted (0.0121257%)
linmin: converged after 3 iterations.
iteration 278: trace = 2.42574907504963 (0.0121305% change)
linmin: converged after 11 iterations.
iteration 279: trace = 2.425615310147062 (0.00551453% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 280: trace = 2.425506385924794 (0.00449068% change)
linmin: converged after 3 iterations.
iteration 281: trace = 2.425431464711454 (0.00308894% change)
large trace change predicted (0.00816072%)
linmin: converged after 5 iterations.
iteration 282: trace = 2.425233494215989 (0.00816261% change)
linmin: converged after 4 iterations.
iteration 283: trace = 2.425191051463706 (0.00175006% change)
large trace change predicted (0.0109637%)
linmin: converged after 3 iterations.
iteration 284: trace = 2.424924955529138 (0.0109728% change)
linmin: converged after 5 iterations.
iteration 285: trace = 2.424747887601169 (0.00730226% change)
linmin: converged after 3 iterations.
iteration 286: trace = 2.424478501035183 (0.0111105% change)
linmin: converged after 3 iterations.
iteration 287: trace = 2.423971458328519 (0.0209157% change)
linmin: converged after 6 iterations.
iteration 288: trace = 2.423717030054782 (0.0104969% change)
large trace change predicted (0.0317176%)
linmin: converged after 3 iterations.
iteration 289: trace = 2.422947586453366 (0.0317515% change)
linmin: converged after 4 iterations.
iteration 290: trace = 2.42228556016201 (0.0273269% change)
linmin: converged after 4 iterations.
iteration 291: trace = 2.421904687749536 (0.0157249% change)
linmin: converged after 3 iterations.
iteration 292: trace = 2.421236419701018 (0.0275965% change)
linmin: converged after 4 iterations.
iteration 293: trace = 2.421045726669086 (0.00787616% change)
linmin: converged after 5 iterations.
iteration 294: trace = 2.420813235710075 (0.00960338% change)
linmin: converged after 4 iterations.
iteration 295: trace = 2.420558403607004 (0.0105273% change)
linmin: converged after 4 iterations.
iteration 296: trace = 2.420470766247239 (0.00362061% change)
linmin: converged after 3 iterations.
iteration 297: trace = 2.42030742835497 (0.00674841% change)
linmin: converged after 6 iterations.
iteration 298: trace = 2.42008914399855 (0.00901928% change)
linmin: converged after 6 iterations.
iteration 299: trace = 2.420013355724126 (0.00313168% change)
large trace change predicted (0.00903628%)
linmin: converged after 6 iterations.
iteration 300: trace = 2.419794874537123 (0.00902851% change)
linmin: converged after 8 iterations.
iteration 301: trace = 2.419694818831106 (0.00413497% change)
linmin: converged after 7 iterations.
iteration 302: trace = 2.419595457686937 (0.00410643% change)
linmin: converged after 6 iterations.
iteration 303: trace = 2.419455515478322 (0.00578387% change)
linmin: converged after 6 iterations.
iteration 304: trace = 2.419425425092193 (0.00124369% change)
large trace change predicted (0.00714945%)
linmin: converged after 5 iterations.
iteration 305: trace = 2.419252495095128 (0.00714782% change)
linmin: converged after 5 iterations.
iteration 306: trace = 2.419197261242302 (0.00228312% change)
large trace change predicted (0.0104159%)
linmin: converged after 4 iterations.
iteration 307: trace = 2.418945219040458 (0.010419% change)
linmin: converged after 7 iterations.
iteration 308: trace = 2.418764931361188 (0.00745343% change)
linmin: converged after 3 iterations.
iteration 309: trace = 2.418452005249057 (0.0129383% change)
linmin: converged after 4 iterations.
iteration 310: trace = 2.417885841262164 (0.0234129% change)
linmin: converged after 5 iterations.
iteration 311: trace = 2.417564430046233 (0.013294% change)
large trace change predicted (0.0344346%)
linmin: converged after 5 iterations.
iteration 312: trace = 2.416733917171363 (0.0343592% change)
linmin: converged after 4 iterations.
iteration 313: trace = 2.41653411035595 (0.00826798% change)
linmin: converged after 4 iterations.
iteration 314: trace = 2.416251600401907 (0.0116914% change)
linmin: converged after 4 iterations.
iteration 315: trace = 2.416151342024927 (0.00414942% change)
linmin: converged after 5 iterations.
iteration 316: trace = 2.416062835272836 (0.0036632% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.415963394951248 (0.00411589% change)
linmin: converged after 5 iterations.
iteration 318: trace = 2.415935483954964 (0.00115528% change)
large trace change predicted (0.00393661%)
linmin: converged after 6 iterations.
iteration 319: trace = 2.41584036978655 (0.00393703% change)
linmin: converged after 5 iterations.
iteration 320: trace = 2.415814169939886 (0.00108451% change)
large trace change predicted (0.00285898%)
linmin: converged after 5 iterations.
iteration 321: trace = 2.415745111655867 (0.00285863% change)
linmin: converged after 6 iterations.
iteration 322: trace = 2.415683359006886 (0.00255629% change)
linmin: converged after 6 iterations.
iteration 323: trace = 2.415622097442928 (0.00253603% change)
large trace change predicted (0.00647219%)
linmin: converged after 4 iterations.
iteration 324: trace = 2.415465758960213 (0.00647219% change)
linmin: converged after 6 iterations.
iteration 325: trace = 2.415417059785462 (0.00201616% change)
large trace change predicted (0.00964655%)
linmin: converged after 4 iterations.
iteration 326: trace = 2.415184059580815 (0.00964684% change)
linmin: converged after 4 iterations.
iteration 327: trace = 2.415110017744065 (0.00306573% change)
large trace change predicted (0.00819718%)
linmin: converged after 5 iterations.
iteration 328: trace = 2.414912074075603 (0.00819639% change)
linmin: converged after 5 iterations.
iteration 329: trace = 2.414818246002999 (0.00388544% change)
linmin: converged after 4 iterations.
iteration 330: trace = 2.414735367126567 (0.00343215% change)
linmin: converged after 3 iterations.
iteration 331: trace = 2.414621792742087 (0.0047035% change)
linmin: converged after 3 iterations.
iteration 332: trace = 2.414550424412506 (0.00295572% change)
linmin: converged after 6 iterations.
iteration 333: trace = 2.414495109706231 (0.00229092% change)
linmin: converged after 5 iterations.
iteration 334: trace = 2.414423377558997 (0.00297094% change)
linmin: converged after 3 iterations.
iteration 335: trace = 2.414384691070278 (0.00160232% change)
linmin: converged after 5 iterations.
iteration 336: trace = 2.414341000176852 (0.00180962% change)
linmin: converged after 5 iterations.
iteration 337: trace = 2.41430055230594 (0.00167533% change)
linmin: converged after 5 iterations.
iteration 338: trace = 2.414274317536414 (0.00108665% change)
linmin: converged after 4 iterations.
iteration 339: trace = 2.41425507287523 (0.000797123% change)
linmin: converged after 5 iterations.
iteration 340: trace = 2.414236649452086 (0.000763113% change)
linmin: converged after 6 iterations.
iteration 341: trace = 2.414224726454799 (0.000493863% change)
linmin: converged after 5 iterations.
iteration 342: trace = 2.414202726807066 (0.000911255% change)
linmin: converged after 5 iterations.
iteration 343: trace = 2.414178937106441 (0.000985411% change)
linmin: converged after 5 iterations.
iteration 344: trace = 2.414149798616576 (0.00120698% change)
large trace change predicted (0.00299082%)
linmin: converged after 6 iterations.
iteration 345: trace = 2.41407759654868 (0.00299083% change)
linmin: converged after 5 iterations.
iteration 346: trace = 2.414004119437057 (0.00304374% change)
large trace change predicted (0.00977882%)
linmin: converged after 3 iterations.
iteration 347: trace = 2.413767806995419 (0.00978971% change)
linmin: converged after 5 iterations.
iteration 348: trace = 2.413687330364036 (0.00333412% change)
large trace change predicted (0.0093437%)
linmin: converged after 4 iterations.
iteration 349: trace = 2.413461511077041 (0.00935622% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 350: trace = 2.413386434649297 (0.00311078% change)
linmin: converged after 4 iterations.
iteration 351: trace = 2.413305808082804 (0.00334086% change)
linmin: converged after 4 iterations.
iteration 352: trace = 2.4132488100235 (0.00236185% change)
linmin: converged after 3 iterations.
iteration 353: trace = 2.413211046121611 (0.00156487% change)
linmin: converged after 5 iterations.
iteration 354: trace = 2.413173536575557 (0.00155435% change)
linmin: converged after 5 iterations.
iteration 355: trace = 2.413167248421996 (0.000260576% change)
large trace change predicted (0.000848795%)
linmin: converged after 6 iterations.
iteration 356: trace = 2.41314676709324 (0.000848736% change)
linmin: converged after 5 iterations.
iteration 357: trace = 2.413131917825763 (0.000615351% change)
linmin: converged after 5 iterations.
iteration 358: trace = 2.413123573766763 (0.000345778% change)
large trace change predicted (0.000779705%)
linmin: converged after 3 iterations.
iteration 359: trace = 2.413104759268773 (0.000779677% change)
linmin: converged after 4 iterations.
iteration 360: trace = 2.413096158627766 (0.000356415% change)
large trace change predicted (0.00114948%)
linmin: converged after 4 iterations.
iteration 361: trace = 2.413068415289525 (0.00114971% change)
linmin: converged after 4 iterations.
iteration 362: trace = 2.413062298339944 (0.000253493% change)
large trace change predicted (0.000788004%)
linmin: converged after 3 iterations.
iteration 363: trace = 2.413043281903275 (0.000788066% change)
linmin: converged after 6 iterations.
iteration 364: trace = 2.413030650567991 (0.000523462% change)
linmin: converged after 5 iterations.
iteration 365: trace = 2.413016332836997 (0.000593352% change)
large trace change predicted (0.00154277%)
linmin: converged after 3 iterations.
iteration 366: trace = 2.412979106526986 (0.00154274% change)
linmin: converged after 16 iterations.
iteration 367: trace = 2.41296256945816 (0.000685341% change)
large trace change predicted (0.00259056%)
linmin: converged after 4 iterations.
iteration 368: trace = 2.412900063137797 (0.00259047% change)
linmin: converged after 6 iterations.
iteration 369: trace = 2.412862555151076 (0.00155449% change)
large trace change predicted (0.00379101%)
linmin: converged after 5 iterations.
iteration 370: trace = 2.412771119267362 (0.00378959% change)
linmin: converged after 6 iterations.
iteration 371: trace = 2.412695634740488 (0.00312859% change)
linmin: converged after 4 iterations.
iteration 372: trace = 2.41264341456597 (0.00216441% change)
linmin: converged after 5 iterations.
iteration 373: trace = 2.412564555075086 (0.00326865% change)
linmin: converged after 5 iterations.
iteration 374: trace = 2.412538035336315 (0.00109924% change)
large trace change predicted (0.00243144%)
linmin: converged after 6 iterations.
iteration 375: trace = 2.412479376231941 (0.00243146% change)
linmin: converged after 5 iterations.
iteration 376: trace = 2.412467342269555 (0.000498823% change)
large trace change predicted (0.00103276%)
linmin: converged after 6 iterations.
iteration 377: trace = 2.412442424999895 (0.00103286% change)
linmin: converged after 6 iterations.
iteration 378: trace = 2.412431726272443 (0.000443482% change)
linmin: converged after 5 iterations.
iteration 379: trace = 2.412421034374853 (0.000443201% change)
linmin: converged after 6 iterations.
iteration 380: trace = 2.412401544746259 (0.00080789% change)
linmin: converged after 5 iterations.
iteration 381: trace = 2.412392782882931 (0.000363202% change)
large trace change predicted (0.00196816%)
linmin: converged after 3 iterations.
iteration 382: trace = 2.412345286815266 (0.00196886% change)
linmin: converged after 5 iterations.
iteration 383: trace = 2.412321399839644 (0.000990202% change)
large trace change predicted (0.00315659%)
linmin: converged after 4 iterations.
iteration 384: trace = 2.412245236804718 (0.0031573% change)
linmin: converged after 5 iterations.
iteration 385: trace = 2.412195786171072 (0.00205% change)
linmin: converged after 5 iterations.
iteration 386: trace = 2.412141590352857 (0.00224677% change)
linmin: converged after 3 iterations.
iteration 387: trace = 2.412062577249244 (0.00327569% change)
linmin: converged after 5 iterations.
iteration 388: trace = 2.412032968311365 (0.00122754% change)
large trace change predicted (0.0068887%)
linmin: converged after 5 iterations.
iteration 389: trace = 2.411866774488818 (0.00689043% change)
linmin: converged after 5 iterations.
iteration 390: trace = 2.411792401185717 (0.00308369% change)
linmin: converged after 5 iterations.
iteration 391: trace = 2.41167694189856 (0.0047874% change)
linmin: converged after 6 iterations.
iteration 392: trace = 2.411554708220565 (0.00506854% change)
linmin: converged after 5 iterations.
iteration 393: trace = 2.411513927622201 (0.00169106% change)
large trace change predicted (0.00349877%)
linmin: converged after 4 iterations.
iteration 394: trace = 2.411429523232661 (0.00350012% change)
linmin: converged after 5 iterations.
iteration 395: trace = 2.411388532957937 (0.00169985% change)
linmin: converged after 5 iterations.
iteration 396: trace = 2.411346315754386 (0.00175076% change)
linmin: converged after 3 iterations.
iteration 397: trace = 2.411304516312421 (0.00173346% change)
linmin: converged after 7 iterations.
iteration 398: trace = 2.411286660605563 (0.000740503% change)
large trace change predicted (0.00153433%)
linmin: converged after 5 iterations.
iteration 399: trace = 2.41124965539844 (0.00153468% change)
linmin: converged after 5 iterations.
iteration 400: trace = 2.411230610479458 (0.000789839% change)
linmin: converged after 5 iterations.
iteration 401: trace = 2.411196244364239 (0.00142526% change)
large trace change predicted (0.00292356%)
linmin: converged after 5 iterations.
iteration 402: trace = 2.411125719503228 (0.00292493% change)
linmin: converged after 5 iterations.
iteration 403: trace = 2.411078229031088 (0.00196966% change)
large trace change predicted (0.00746489%)
linmin: converged after 5 iterations.
iteration 404: trace = 2.410898129574305 (0.00746994% change)
linmin: converged after 6 iterations.
iteration 405: trace = 2.410842941701281 (0.00228913% change)
large trace change predicted (0.00770571%)
linmin: converged after 6 iterations.
iteration 406: trace = 2.410657065888799 (0.00771029% change)
linmin: converged after 4 iterations.
iteration 407: trace = 2.410502926941938 (0.00639427% change)
linmin: converged after 4 iterations.
iteration 408: trace = 2.410427868635873 (0.00311385% change)
large trace change predicted (0.00706503%)
linmin: converged after 8 iterations.
iteration 409: trace = 2.410257521902843 (0.00706732% change)
linmin: converged after 8 iterations.
iteration 410: trace = 2.410221980438839 (0.0014746% change)
linmin: converged after 5 iterations.
iteration 411: trace = 2.410151957792329 (0.00290528% change)
linmin: converged after 4 iterations.
iteration 412: trace = 2.410104979853131 (0.00194919% change)
linmin: converged after 5 iterations.
iteration 413: trace = 2.410074948488489 (0.00124607% change)
linmin: converged after 4 iterations.
iteration 414: trace = 2.410017691600833 (0.00237576% change)
linmin: converged after 8 iterations.
iteration 415: trace = 2.409984969371745 (0.00135777% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.409921987043194 (0.00261343% change)
linmin: converged after 5 iterations.
iteration 417: trace = 2.409861004380872 (0.00253051% change)
linmin: converged after 6 iterations.
iteration 418: trace = 2.409831187072331 (0.00123731% change)
large trace change predicted (0.00427331%)
linmin: converged after 4 iterations.
iteration 419: trace = 2.409728146658982 (0.00427593% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 420: trace = 2.40970147888435 (0.00110668% change)
linmin: converged after 5 iterations.
iteration 421: trace = 2.409687210926401 (0.000592107% change)
large trace change predicted (0.00193327%)
linmin: converged after 5 iterations.
iteration 422: trace = 2.409640631368262 (0.00193303% change)
linmin: converged after 5 iterations.
iteration 423: trace = 2.409618934783449 (0.000900412% change)
large trace change predicted (0.00398567%)
linmin: converged after 3 iterations.
iteration 424: trace = 2.409522903805374 (0.0039854% change)
linmin: converged after 5 iterations.
iteration 425: trace = 2.409482308024622 (0.00168482% change)
linmin: converged after 4 iterations.
iteration 426: trace = 2.409425250025307 (0.00236809% change)
linmin: converged after 3 iterations.
iteration 427: trace = 2.409376627490277 (0.00201803% change)
linmin: converged after 5 iterations.
iteration 428: trace = 2.409360314604824 (0.000677061% change)
large trace change predicted (0.00221129%)
linmin: converged after 5 iterations.
iteration 429: trace = 2.40930702749114 (0.0022117% change)
linmin: converged after 8 iterations.
iteration 430: trace = 2.409249243709464 (0.00239839% change)
linmin: converged after 5 iterations.
iteration 431: trace = 2.409195201311559 (0.00224315% change)
large trace change predicted (0.00480342%)
linmin: converged after 5 iterations.
iteration 432: trace = 2.409079436407521 (0.00480524% change)
linmin: converged after 6 iterations.
iteration 433: trace = 2.409036739092051 (0.00177237% change)
large trace change predicted (0.00461077%)
linmin: converged after 4 iterations.
iteration 434: trace = 2.408925674196643 (0.00461045% change)
linmin: converged after 4 iterations.
iteration 435: trace = 2.408849660402271 (0.00315556% change)
linmin: converged after 5 iterations.
iteration 436: trace = 2.408785112227291 (0.00267966% change)
linmin: converged after 4 iterations.
iteration 437: trace = 2.408671901645651 (0.00470001% change)
linmin: converged after 3 iterations.
iteration 438: trace = 2.408652271204432 (0.000814994% change)
large trace change predicted (0.00262957%)
linmin: converged after 4 iterations.
iteration 439: trace = 2.408588955931056 (0.00262869% change)
linmin: converged after 8 iterations.
iteration 440: trace = 2.408573834653069 (0.000627808% change)
linmin: converged after 4 iterations.
iteration 441: trace = 2.408544638048476 (0.0012122% change)
linmin: converged after 2 iterations.
iteration 442: trace = 2.408524791908381 (0.000823992% change)
linmin: converged after 5 iterations.
iteration 443: trace = 2.40851419524881 (0.000439966% change)
large trace change predicted (0.00138376%)
linmin: converged after 4 iterations.
iteration 444: trace = 2.40848086631135 (0.00138381% change)
linmin: converged after 5 iterations.
iteration 445: trace = 2.408461387106721 (0.000808779% change)
large trace change predicted (0.00184068%)
linmin: converged after 5 iterations.
iteration 446: trace = 2.408417050970341 (0.00184087% change)
linmin: converged after 3 iterations.
iteration 447: trace = 2.408370527606705 (0.00193172% change)
linmin: converged after 4 iterations.
iteration 448: trace = 2.408336804660302 (0.00140025% change)
linmin: converged after 5 iterations.
iteration 449: trace = 2.408284611550768 (0.00216721% change)
linmin: converged after 5 iterations.
iteration 450: trace = 2.408253436532293 (0.0012945% change)
linmin: converged after 3 iterations.
iteration 451: trace = 2.408191162413356 (0.0025859% change)
linmin: converged after 6 iterations.
iteration 452: trace = 2.408133680701252 (0.00238695% change)
linmin: converged after 6 iterations.
iteration 453: trace = 2.408088041127709 (0.00189524% change)
large trace change predicted (0.00392028%)
linmin: converged after 3 iterations.
iteration 454: trace = 2.407993663125156 (0.00391929% change)
linmin: converged after 6 iterations.
iteration 455: trace = 2.407964535303353 (0.00120964% change)
large trace change predicted (0.0024464%)
linmin: converged after 3 iterations.
iteration 456: trace = 2.407905631451386 (0.00244624% change)
linmin: converged after 6 iterations.
iteration 457: trace = 2.407858509250551 (0.001957% change)
linmin: converged after 5 iterations.
iteration 458: trace = 2.407844530038918 (0.000580568% change)
linmin: converged after 5 iterations.
iteration 459: trace = 2.407816820607651 (0.0011508% change)
linmin: converged after 6 iterations.
iteration 460: trace = 2.407812512719409 (0.000178913% change)
large trace change predicted (0.000483245%)
linmin: converged after 13 iterations.
iteration 461: trace = 2.40780087819417 (0.0004832% change)
linmin: converged after 4 iterations.
iteration 462: trace = 2.407794661399401 (0.000258194% change)
linmin: converged after 5 iterations.
iteration 463: trace = 2.407789494891275 (0.000214575% change)
large trace change predicted (0.00088323%)
linmin: converged after 5 iterations.
iteration 464: trace = 2.407768232546402 (0.000883069% change)
linmin: converged after 5 iterations.
iteration 465: trace = 2.407759494214948 (0.000362923% change)
large trace change predicted (0.00211486%)
linmin: converged after 4 iterations.
iteration 466: trace = 2.407708592018342 (0.00211411% change)
linmin: converged after 4 iterations.
iteration 467: trace = 2.407675554988585 (0.00137215% change)
linmin: converged after 4 iterations.
iteration 468: trace = 2.407622940142824 (0.00218532% change)
linmin: converged after 10 iterations.
iteration 469: trace = 2.407575908380863 (0.00195347% change)
linmin: converged after 5 iterations.
iteration 470: trace = 2.407555363912389 (0.00085333% change)
large trace change predicted (0.00244944%)
linmin: converged after 3 iterations.
iteration 471: trace = 2.407496409876307 (0.00244874% change)
linmin: converged after 4 iterations.
iteration 472: trace = 2.407469939316644 (0.00109951% change)
linmin: converged after 3 iterations.
iteration 473: trace = 2.407438034055737 (0.00132527% change)
linmin: converged after 5 iterations.
iteration 474: trace = 2.407409185125543 (0.00119833% change)
linmin: converged after 4 iterations.
iteration 475: trace = 2.407401324309179 (0.000326527% change)
large trace change predicted (0.000735905%)
linmin: converged after 6 iterations.
iteration 476: trace = 2.407383609612983 (0.000735846% change)
linmin: converged after 6 iterations.
iteration 477: trace = 2.407375220785283 (0.000348463% change)
large trace change predicted (0.000781928%)
linmin: converged after 5 iterations.
iteration 478: trace = 2.407356399350062 (0.000781827% change)
linmin: converged after 4 iterations.
iteration 479: trace = 2.407340379218086 (0.000665468% change)
linmin: converged after 7 iterations.
iteration 480: trace = 2.407334955638029 (0.000225294% change)
large trace change predicted (0.000888633%)
linmin: converged after 3 iterations.
iteration 481: trace = 2.407313564046815 (0.000888604% change)
linmin: converged after 5 iterations.
iteration 482: trace = 2.407309548045058 (0.000166825% change)
large trace change predicted (0.000616995%)
linmin: converged after 4 iterations.
iteration 483: trace = 2.407294695271179 (0.000616988% change)
linmin: converged after 5 iterations.
iteration 484: trace = 2.407281115532553 (0.000564109% change)
linmin: converged after 5 iterations.
iteration 485: trace = 2.407271414250927 (0.000402998% change)
large trace change predicted (0.00139438%)
linmin: converged after 5 iterations.
iteration 486: trace = 2.407237857736547 (0.00139397% change)
linmin: converged after 6 iterations.
iteration 487: trace = 2.407223779029771 (0.000584851% change)
large trace change predicted (0.00416875%)
linmin: converged after 6 iterations.
iteration 488: trace = 2.407123526952789 (0.00416472% change)
linmin: converged after 5 iterations.
iteration 489: trace = 2.407026330795406 (0.00403794% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 490: trace = 2.406957269518961 (0.00286919% change)
linmin: converged after 5 iterations.
iteration 491: trace = 2.406870496565155 (0.00360515% change)
linmin: converged after 4 iterations.
iteration 492: trace = 2.406844872411499 (0.00106463% change)
linmin: converged after 6 iterations.
iteration 493: trace = 2.406823222726326 (0.000899509% change)
linmin: converged after 4 iterations.
iteration 494: trace = 2.406798510252978 (0.00102677% change)
linmin: converged after 6 iterations.
iteration 495: trace = 2.406792109081453 (0.000265962% change)
large trace change predicted (0.000867646%)
linmin: converged after 3 iterations.
iteration 496: trace = 2.406771227114573 (0.00086763% change)
linmin: converged after 12 iterations.
iteration 497: trace = 2.406764503990177 (0.000279342% change)
large trace change predicted (0.000566493%)
linmin: converged after 8 iterations.
iteration 498: trace = 2.40675087105694 (0.000566444% change)
linmin: converged after 7 iterations.
iteration 499: trace = 2.406738055778725 (0.000532474% change)
linmin: converged after 7 iterations.
iteration 500: trace = 2.406732425392003 (0.000233943% change)
large trace change predicted (0.000756148%)
linmin: converged after 5 iterations.
iteration 501: trace = 2.406714229111141 (0.00075606% change)
linmin: converged after 5 iterations.
iteration 502: trace = 2.406705294928117 (0.00037122% change)
linmin: converged after 6 iterations.
iteration 503: trace = 2.406690710234951 (0.000606004% change)
linmin: converged after 5 iterations.
iteration 504: trace = 2.40667063234783 (0.000834256% change)
linmin: converged after 5 iterations.
iteration 505: trace = 2.406661194691035 (0.000392147% change)
large trace change predicted (0.00113089%)
linmin: converged after 3 iterations.
iteration 506: trace = 2.406633974864492 (0.00113103% change)
linmin: converged after 5 iterations.
iteration 507: trace = 2.406607392676347 (0.00110454% change)
linmin: converged after 4 iterations.
iteration 508: trace = 2.406575829183933 (0.00131154% change)
linmin: converged after 3 iterations.
iteration 509: trace = 2.406521134375334 (0.00227275% change)
linmin: converged after 5 iterations.
iteration 510: trace = 2.406503241437983 (0.000743522% change)
large trace change predicted (0.00300957%)
linmin: converged after 6 iterations.
iteration 511: trace = 2.406430832869664 (0.00300892% change)
linmin: converged after 4 iterations.
iteration 512: trace = 2.406387361342657 (0.00180649% change)
linmin: converged after 5 iterations.
iteration 513: trace = 2.406355518966213 (0.00132325% change)
linmin: converged after 4 iterations.
iteration 514: trace = 2.406329490383353 (0.00108167% change)
linmin: converged after 4 iterations.
iteration 515: trace = 2.406320645471696 (0.000367569% change)
linmin: converged after 2 iterations.
iteration 516: trace = 2.406303123871054 (0.000728152% change)
linmin: converged after 6 iterations.
iteration 517: trace = 2.406294411613941 (0.00036206% change)
linmin: converged after 5 iterations.
iteration 518: trace = 2.406286414055346 (0.00033236% change)
linmin: converged after 11 iterations.
iteration 519: trace = 2.406271583428192 (0.00061633% change)
linmin: converged after 5 iterations.
iteration 520: trace = 2.406263308925204 (0.000343873% change)
large trace change predicted (0.000915081%)
linmin: converged after 5 iterations.
iteration 521: trace = 2.406241294679505 (0.000914877% change)
linmin: converged after 5 iterations.
iteration 522: trace = 2.406199173016654 (0.00175053% change)
linmin: converged after 3 iterations.
iteration 523: trace = 2.406173876238488 (0.00105132% change)
large trace change predicted (0.00280236%)
linmin: converged after 7 iterations.
iteration 524: trace = 2.406106489210063 (0.00280063% change)
linmin: converged after 5 iterations.
iteration 525: trace = 2.406080420577878 (0.00108344% change)
large trace change predicted (0.00263422%)
linmin: converged after 5 iterations.
iteration 526: trace = 2.406017049372287 (0.00263383% change)
linmin: converged after 4 iterations.
iteration 527: trace = 2.405967533638343 (0.00205802% change)
linmin: converged after 5 iterations.
iteration 528: trace = 2.405935172494428 (0.00134505% change)
large trace change predicted (0.00404592%)
linmin: converged after 4 iterations.
iteration 529: trace = 2.405837809078261 (0.00404688% change)
linmin: converged after 5 iterations.
iteration 530: trace = 2.405798814768455 (0.00162083% change)
large trace change predicted (0.0037066%)
linmin: converged after 4 iterations.
iteration 531: trace = 2.405709593420989 (0.00370866% change)
linmin: converged after 4 iterations.
iteration 532: trace = 2.405637557767991 (0.00299441% change)
linmin: converged after 4 iterations.
iteration 533: trace = 2.405602244559844 (0.00146795% change)
linmin: converged after 4 iterations.
iteration 534: trace = 2.405562832784966 (0.00163835% change)
linmin: converged after 5 iterations.
iteration 535: trace = 2.405546493173059 (0.000679245% change)
linmin: converged after 5 iterations.
iteration 536: trace = 2.405520748706309 (0.00107022% change)
linmin: converged after 5 iterations.
iteration 537: trace = 2.405500717412782 (0.000832725% change)
linmin: converged after 5 iterations.
iteration 538: trace = 2.405482124851071 (0.000772922% change)
large trace change predicted (0.00184766%)
linmin: converged after 4 iterations.
iteration 539: trace = 2.405437681000958 (0.00184762% change)
linmin: converged after 3 iterations.
iteration 540: trace = 2.405411721585987 (0.0010792% change)
large trace change predicted (0.002842%)
linmin: converged after 5 iterations.
iteration 541: trace = 2.405343335641992 (0.00284304% change)
linmin: converged after 4 iterations.
iteration 542: trace = 2.405288066254962 (0.0022978% change)
linmin: converged after 9 iterations.
iteration 543: trace = 2.405179376241461 (0.0045189% change)
linmin: converged after 5 iterations.
iteration 544: trace = 2.40506840314169 (0.00461403% change)
linmin: converged after 4 iterations.
iteration 545: trace = 2.404994116800035 (0.00308879% change)
large trace change predicted (0.0071561%)
linmin: converged after 6 iterations.
iteration 546: trace = 2.404822128907764 (0.00715154% change)
linmin: converged after 5 iterations.
iteration 547: trace = 2.404776201949189 (0.0019098% change)
large trace change predicted (0.00526143%)
linmin: converged after 6 iterations.
iteration 548: trace = 2.404649739793424 (0.00525893% change)
linmin: converged after 3 iterations.
iteration 549: trace = 2.404583649844168 (0.00274846% change)
linmin: converged after 4 iterations.
iteration 550: trace = 2.404547957918711 (0.00148434% change)
linmin: converged after 5 iterations.
iteration 551: trace = 2.404484313629107 (0.00264686% change)
linmin: converged after 5 iterations.
iteration 552: trace = 2.404462353903598 (0.000913286% change)
large trace change predicted (0.00413703%)
linmin: converged after 3 iterations.
iteration 553: trace = 2.40436296662452 (0.00413354% change)
linmin: converged after 5 iterations.
iteration 554: trace = 2.404325909399927 (0.00154126% change)
large trace change predicted (0.00388783%)
linmin: converged after 8 iterations.
iteration 555: trace = 2.40423249741102 (0.00388524% change)
linmin: converged after 4 iterations.
iteration 556: trace = 2.40417473359623 (0.00240262% change)
linmin: converged after 3 iterations.
iteration 557: trace = 2.404142752565208 (0.00133024% change)
linmin: converged after 5 iterations.
iteration 558: trace = 2.404110700821694 (0.0013332% change)
linmin: converged after 5 iterations.
iteration 559: trace = 2.404093065392066 (0.000733556% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 560: trace = 2.404078045332241 (0.000624772% change)
linmin: converged after 6 iterations.
iteration 561: trace = 2.404051180451748 (0.00111748% change)
linmin: converged after 4 iterations.
iteration 562: trace = 2.404018893615237 (0.00134303% change)
linmin: converged after 6 iterations.
iteration 563: trace = 2.403969653218171 (0.00204827% change)
large trace change predicted (0.00438759%)
linmin: converged after 6 iterations.
iteration 564: trace = 2.403864121129502 (0.00439001% change)
linmin: converged after 6 iterations.
iteration 565: trace = 2.403835397136465 (0.00119492% change)
large trace change predicted (0.00422546%)
linmin: converged after 5 iterations.
iteration 566: trace = 2.403733753789727 (0.00422847% change)
linmin: converged after 8 iterations.
iteration 567: trace = 2.403698695864119 (0.00145849% change)
linmin: converged after 4 iterations.
iteration 568: trace = 2.40364427619776 (0.00226402% change)
linmin: converged after 5 iterations.
iteration 569: trace = 2.403582611632665 (0.00256549% change)
linmin: converged after 4 iterations.
iteration 570: trace = 2.403546294920238 (0.00151095% change)
large trace change predicted (0.00544673%)
linmin: converged after 6 iterations.
iteration 571: trace = 2.403415443813978 (0.00544423% change)
linmin: converged after 4 iterations.
iteration 572: trace = 2.403375584425909 (0.00165846% change)
large trace change predicted (0.00659273%)
linmin: converged after 6 iterations.
iteration 573: trace = 2.403217254650844 (0.00658803% change)
linmin: converged after 5 iterations.
iteration 574: trace = 2.403135088102778 (0.00341908% change)
linmin: converged after 5 iterations.
iteration 575: trace = 2.403041163443373 (0.0039085% change)
linmin: converged after 3 iterations.
iteration 576: trace = 2.402925943800047 (0.00479486% change)
linmin: converged after 7 iterations.
iteration 577: trace = 2.402870571242855 (0.00230441% change)
linmin: converged after 5 iterations.
iteration 578: trace = 2.402772579702877 (0.00407819% change)
linmin: converged after 6 iterations.
iteration 579: trace = 2.402745835509351 (0.00111306% change)
large trace change predicted (0.00250649%)
linmin: converged after 5 iterations.
iteration 580: trace = 2.402685605406111 (0.00250675% change)
linmin: converged after 5 iterations.
iteration 581: trace = 2.402668034958073 (0.000731286% change)
linmin: converged after 5 iterations.
iteration 582: trace = 2.402643312077053 (0.00102898% change)
linmin: converged after 7 iterations.
iteration 583: trace = 2.402617495848525 (0.0010745% change)
linmin: converged after 5 iterations.
iteration 584: trace = 2.402604079464414 (0.000558409% change)
large trace change predicted (0.00210272%)
linmin: converged after 3 iterations.
iteration 585: trace = 2.402553574806637 (0.0021021% change)
linmin: converged after 5 iterations.
iteration 586: trace = 2.402508492774035 (0.00187644% change)
linmin: converged after 5 iterations.
iteration 587: trace = 2.402458890623528 (0.00206462% change)
linmin: converged after 5 iterations.
iteration 588: trace = 2.402380815566274 (0.00324985% change)
linmin: converged after 4 iterations.
iteration 589: trace = 2.402342424713478 (0.00159805% change)
large trace change predicted (0.00329024%)
linmin: converged after 7 iterations.
iteration 590: trace = 2.402263409700965 (0.00328914% change)
linmin: converged after 5 iterations.
iteration 591: trace = 2.402181725210517 (0.00340037% change)
linmin: converged after 4 iterations.
iteration 592: trace = 2.402140386227026 (0.00172091% change)
large trace change predicted (0.00421812%)
linmin: converged after 3 iterations.
iteration 593: trace = 2.402039121043811 (0.00421571% change)
linmin: converged after 6 iterations.
iteration 594: trace = 2.402007095969871 (0.00133325% change)
large trace change predicted (0.00348507%)
linmin: converged after 4 iterations.
iteration 595: trace = 2.401923405033258 (0.00348427% change)
linmin: converged after 5 iterations.
iteration 596: trace = 2.401862916661954 (0.00251836% change)
linmin: converged after 5 iterations.
iteration 597: trace = 2.401839775280153 (0.000963481% change)
linmin: converged after 4 iterations.
iteration 598: trace = 2.401798732385787 (0.00170883% change)
linmin: converged after 5 iterations.
iteration 599: trace = 2.401782993163387 (0.000655312% change)
linmin: converged after 5 iterations.
iteration 600: trace = 2.40176789410113 (0.000628663% change)
linmin: converged after 5 iterations.
iteration 601: trace = 2.401753053913696 (0.000617888% change)
linmin: converged after 5 iterations.
iteration 602: trace = 2.40174815166572 (0.000204111% change)
large trace change predicted (0.000544992%)
linmin: converged after 6 iterations.
iteration 603: trace = 2.401735065733056 (0.000544852% change)
linmin: converged after 5 iterations.
iteration 604: trace = 2.401720084361273 (0.000623775% change)
linmin: converged after 5 iterations.
iteration 605: trace = 2.401698362344814 (0.00090444% change)
large trace change predicted (0.002325%)
linmin: converged after 4 iterations.
iteration 606: trace = 2.401642512560469 (0.00232546% change)
linmin: converged after 9 iterations.
iteration 607: trace = 2.401611933829751 (0.00127325% change)
large trace change predicted (0.00330897%)
linmin: converged after 3 iterations.
iteration 608: trace = 2.401532463592184 (0.00330909% change)
linmin: converged after 5 iterations.
iteration 609: trace = 2.401499119087424 (0.00138848% change)
linmin: converged after 5 iterations.
iteration 610: trace = 2.401447417894419 (0.00215289% change)
linmin: converged after 3 iterations.
iteration 611: trace = 2.401385084557824 (0.00259569% change)
linmin: converged after 4 iterations.
iteration 612: trace = 2.401351484970682 (0.00139919% change)
linmin: converged after 3 iterations.
iteration 613: trace = 2.401304668927772 (0.00194959% change)
linmin: converged after 5 iterations.
iteration 614: trace = 2.401292927071097 (0.000488979% change)
large trace change predicted (0.00117536%)
linmin: converged after 8 iterations.
iteration 615: trace = 2.401264719220454 (0.0011747% change)
linmin: converged after 4 iterations.
iteration 616: trace = 2.401248380437763 (0.000680426% change)
linmin: converged after 3 iterations.
iteration 617: trace = 2.401238787611322 (0.000399494% change)
large trace change predicted (0.00124652%)
linmin: converged after 4 iterations.
iteration 618: trace = 2.401208858022974 (0.00124643% change)
linmin: converged after 7 iterations.
iteration 619: trace = 2.401201445936205 (0.000308682% change)
large trace change predicted (0.000912018%)
linmin: converged after 5 iterations.
iteration 620: trace = 2.401179545657997 (0.000912059% change)
linmin: converged after 4 iterations.
iteration 621: trace = 2.401167782659738 (0.000489885% change)
linmin: converged after 5 iterations.
iteration 622: trace = 2.40115232401181 (0.000643799% change)
linmin: converged after 7 iterations.
iteration 623: trace = 2.401135431530021 (0.000703518% change)
linmin: converged after 6 iterations.
iteration 624: trace = 2.401127364772883 (0.000335957% change)
large trace change predicted (0.00109744%)
linmin: converged after 3 iterations.
iteration 625: trace = 2.401101017621681 (0.00109729% change)
linmin: converged after 4 iterations.
iteration 626: trace = 2.40107893677681 (0.000919618% change)
linmin: converged after 5 iterations.
iteration 627: trace = 2.401046265969237 (0.00136068% change)
large trace change predicted (0.00310902%)
linmin: converged after 7 iterations.
iteration 628: trace = 2.400971683592469 (0.00310629% change)
linmin: converged after 6 iterations.
iteration 629: trace = 2.400920445009996 (0.0021341% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 630: trace = 2.400881191161568 (0.00163496% change)
linmin: converged after 4 iterations.
iteration 631: trace = 2.40083258118282 (0.00202469% change)
linmin: converged after 5 iterations.
iteration 632: trace = 2.400775436330532 (0.00238024% change)
linmin: converged after 5 iterations.
iteration 633: trace = 2.400758567069976 (0.000702661% change)
linmin: converged after 7 iterations.
iteration 634: trace = 2.400726208542434 (0.00134786% change)
linmin: converged after 9 iterations.
iteration 635: trace = 2.400719717401779 (0.000270383% change)
large trace change predicted (0.000945239%)
linmin: converged after 5 iterations.
iteration 636: trace = 2.40069702601044 (0.000945196% change)
linmin: converged after 5 iterations.
iteration 637: trace = 2.400686304381208 (0.000446606% change)
linmin: converged after 5 iterations.
iteration 638: trace = 2.400675961603981 (0.000430827% change)
linmin: converged after 5 iterations.
iteration 639: trace = 2.40065557831117 (0.000849068% change)
linmin: converged after 5 iterations.
iteration 640: trace = 2.40064577320946 (0.000408435% change)
large trace change predicted (0.00098766%)
linmin: converged after 5 iterations.
iteration 641: trace = 2.400622068888652 (0.000987419% change)
linmin: converged after 6 iterations.
iteration 642: trace = 2.400614665424228 (0.000308398% change)
large trace change predicted (0.00091859%)
linmin: converged after 5 iterations.
iteration 643: trace = 2.400592618195549 (0.000918404% change)
linmin: converged after 5 iterations.
iteration 644: trace = 2.40057956515277 (0.000543744% change)
linmin: converged after 4 iterations.
iteration 645: trace = 2.400562754288886 (0.000700286% change)
linmin: converged after 6 iterations.
iteration 646: trace = 2.400530250256735 (0.00135403% change)
linmin: converged after 5 iterations.
iteration 647: trace = 2.400513378227578 (0.000702848% change)
large trace change predicted (0.00289488%)
linmin: converged after 3 iterations.
iteration 648: trace = 2.400443876446262 (0.00289533% change)
linmin: converged after 8 iterations.
iteration 649: trace = 2.400425572419785 (0.00076253% change)
large trace change predicted (0.00303777%)
linmin: converged after 4 iterations.
iteration 650: trace = 2.400352645804773 (0.00303812% change)
linmin: converged after 4 iterations.
iteration 651: trace = 2.400311383372737 (0.00171903% change)
linmin: converged after 5 iterations.
iteration 652: trace = 2.400271726383075 (0.00165217% change)
linmin: converged after 4 iterations.
iteration 653: trace = 2.400209603283523 (0.0025882% change)
linmin: converged after 6 iterations.
iteration 654: trace = 2.400193321661681 (0.000678344% change)
large trace change predicted (0.00156829%)
linmin: converged after 6 iterations.
iteration 655: trace = 2.400155677053053 (0.00156841% change)
linmin: converged after 5 iterations.
iteration 656: trace = 2.400149186573974 (0.000270419% change)
large trace change predicted (0.000567482%)
linmin: converged after 6 iterations.
iteration 657: trace = 2.400135566977637 (0.00056745% change)
linmin: converged after 5 iterations.
iteration 658: trace = 2.400127821202504 (0.000322723% change)
linmin: converged after 4 iterations.
iteration 659: trace = 2.400122253741531 (0.000231965% change)
large trace change predicted (0.000844315%)
linmin: converged after 4 iterations.
iteration 660: trace = 2.400101985735589 (0.000844461% change)
linmin: converged after 7 iterations.
iteration 661: trace = 2.400093730830167 (0.00034394% change)
large trace change predicted (0.00189139%)
linmin: converged after 5 iterations.
iteration 662: trace = 2.4000483255984 (0.00189183% change)
linmin: converged after 5 iterations.
iteration 663: trace = 2.400021388409706 (0.00112237% change)
large trace change predicted (0.00259541%)
linmin: converged after 4 iterations.
iteration 664: trace = 2.399959089208699 (0.00259581% change)
linmin: converged after 3 iterations.
iteration 665: trace = 2.399890620760105 (0.00285294% change)
linmin: converged after 6 iterations.
iteration 666: trace = 2.399858608154246 (0.00133393% change)
large trace change predicted (0.00375816%)
linmin: converged after 3 iterations.
iteration 667: trace = 2.399768444772164 (0.0037571% change)
linmin: converged after 5 iterations.
iteration 668: trace = 2.399730308979426 (0.00158916% change)
linmin: converged after 5 iterations.
iteration 669: trace = 2.399659767508675 (0.0029396% change)
linmin: converged after 5 iterations.
iteration 670: trace = 2.399569108335375 (0.00377807% change)
linmin: converged after 5 iterations.
iteration 671: trace = 2.399539148698802 (0.00124855% change)
large trace change predicted (0.00353834%)
linmin: converged after 7 iterations.
iteration 672: trace = 2.399454245615263 (0.00353837% change)
linmin: converged after 4 iterations.
iteration 673: trace = 2.399413389867977 (0.00170272% change)
linmin: converged after 5 iterations.
iteration 674: trace = 2.399383992729808 (0.00122519% change)
linmin: converged after 6 iterations.
iteration 675: trace = 2.399327126021597 (0.00237008% change)
linmin: converged after 4 iterations.
iteration 676: trace = 2.39931669573767 (0.000434718% change)
large trace change predicted (0.0014553%)
linmin: converged after 4 iterations.
iteration 677: trace = 2.399281780488946 (0.00145523% change)
linmin: converged after 6 iterations.
iteration 678: trace = 2.399269557289851 (0.000509454% change)
large trace change predicted (0.00104003%)
linmin: converged after 7 iterations.
iteration 679: trace = 2.399244605134143 (0.00104% change)
linmin: converged after 5 iterations.
iteration 680: trace = 2.399209778341632 (0.00145158% change)
linmin: converged after 6 iterations.
iteration 681: trace = 2.399187993198304 (0.000908017% change)
large trace change predicted (0.00415945%)
linmin: converged after 5 iterations.
iteration 682: trace = 2.399088210314647 (0.00415911% change)
linmin: converged after 5 iterations.
iteration 683: trace = 2.399056221718275 (0.00133337% change)
large trace change predicted (0.00596721%)
linmin: converged after 3 iterations.
iteration 684: trace = 2.398913104911782 (0.00596572% change)
linmin: converged after 3 iterations.
iteration 685: trace = 2.398850811939598 (0.00259675% change)
linmin: converged after 6 iterations.
iteration 686: trace = 2.39875700122225 (0.00391073% change)
linmin: converged after 5 iterations.
iteration 687: trace = 2.398633677363022 (0.00514129% change)
linmin: converged after 11 iterations.
iteration 688: trace = 2.398597001553794 (0.00152904% change)
large trace change predicted (0.00529396%)
linmin: converged after 7 iterations.
iteration 689: trace = 2.398470057235489 (0.00529258% change)
linmin: converged after 4 iterations.
iteration 690: trace = 2.398437960445294 (0.00133823% change)
linmin: converged after 3 iterations.
iteration 691: trace = 2.398391230601388 (0.00194836% change)
linmin: converged after 4 iterations.
iteration 692: trace = 2.39833206436131 (0.00246694% change)
linmin: converged after 5 iterations.
iteration 693: trace = 2.398305795553497 (0.0010953% change)
large trace change predicted (0.00229367%)
linmin: converged after 5 iterations.
iteration 694: trace = 2.398250809738408 (0.00229272% change)
linmin: converged after 3 iterations.
iteration 695: trace = 2.398206801623472 (0.00183503% change)
linmin: converged after 5 iterations.
iteration 696: trace = 2.398147832334272 (0.00245892% change)
linmin: converged after 7 iterations.
iteration 697: trace = 2.398099658302062 (0.00200882% change)
linmin: converged after 6 iterations.
iteration 698: trace = 2.398077434923507 (0.000926712% change)
linmin: converged after 5 iterations.
iteration 699: trace = 2.398055295282286 (0.000923229% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 700: trace = 2.398045005095203 (0.000429106% change)
linmin: converged after 3 iterations.
iteration 701: trace = 2.398031251454867 (0.000573537% change)
large trace change predicted (0.00235806%)
linmin: converged after 4 iterations.
iteration 702: trace = 2.397974705301421 (0.00235805% change)
linmin: converged after 6 iterations.
iteration 703: trace = 2.397952140548108 (0.000940997% change)
large trace change predicted (0.00347249%)
linmin: converged after 4 iterations.
iteration 704: trace = 2.397868868267941 (0.0034727% change)
linmin: converged after 5 iterations.
iteration 705: trace = 2.397836629143445 (0.0013445% change)
linmin: converged after 6 iterations.
iteration 706: trace = 2.397785394565341 (0.00213672% change)
linmin: converged after 4 iterations.
iteration 707: trace = 2.397725891231192 (0.00248163% change)
linmin: converged after 8 iterations.
iteration 708: trace = 2.397705434124033 (0.000853192% change)
large trace change predicted (0.00267083%)
linmin: converged after 5 iterations.
iteration 709: trace = 2.397641391226871 (0.00267104% change)
linmin: converged after 4 iterations.
iteration 710: trace = 2.397547201218146 (0.00392852% change)
linmin: converged after 5 iterations.
iteration 711: trace = 2.397513953342903 (0.00138676% change)
large trace change predicted (0.00618255%)
linmin: converged after 3 iterations.
iteration 712: trace = 2.397365753453123 (0.00618159% change)
linmin: converged after 5 iterations.
iteration 713: trace = 2.397327041730609 (0.00161477% change)
large trace change predicted (0.00361742%)
linmin: converged after 4 iterations.
iteration 714: trace = 2.397240334136916 (0.00361691% change)
linmin: converged after 3 iterations.
iteration 715: trace = 2.397143726677977 (0.00403003% change)
linmin: converged after 4 iterations.
iteration 716: trace = 2.39711205118414 (0.00132139% change)
large trace change predicted (0.00333039%)
linmin: converged after 3 iterations.
iteration 717: trace = 2.39703224056156 (0.0033295% change)
linmin: converged after 6 iterations.
iteration 718: trace = 2.397006072532194 (0.00109169% change)
linmin: converged after 5 iterations.
iteration 719: trace = 2.396973952962859 (0.00134% change)
linmin: converged after 6 iterations.
iteration 720: trace = 2.396952050002569 (0.00091378% change)
linmin: converged after 4 iterations.
iteration 721: trace = 2.396941430042514 (0.000443062% change)
large trace change predicted (0.00089795%)
linmin: converged after 5 iterations.
iteration 722: trace = 2.396919914532225 (0.000897628% change)
linmin: converged after 5 iterations.
iteration 723: trace = 2.396897661914431 (0.000928388% change)
linmin: converged after 6 iterations.
iteration 724: trace = 2.39686994051504 (0.00115656% change)
linmin: converged after 4 iterations.
iteration 725: trace = 2.396817530998328 (0.00218661% change)
linmin: converged after 5 iterations.
iteration 726: trace = 2.396794726927751 (0.000951436% change)
large trace change predicted (0.00229541%)
linmin: converged after 5 iterations.
iteration 727: trace = 2.396739731301993 (0.00229458% change)
linmin: converged after 12 iterations.
iteration 728: trace = 2.396699912372668 (0.00166139% change)
linmin: converged after 5 iterations.
iteration 729: trace = 2.39665887172729 (0.0017124% change)
linmin: converged after 5 iterations.
iteration 730: trace = 2.396597099071831 (0.00257748% change)
linmin: converged after 5 iterations.
iteration 731: trace = 2.396577201214417 (0.000830258% change)
large trace change predicted (0.00294524%)
linmin: converged after 6 iterations.
iteration 732: trace = 2.396506669043147 (0.00294308% change)
linmin: converged after 4 iterations.
iteration 733: trace = 2.39645286587445 (0.00224509% change)
linmin: converged after 5 iterations.
iteration 734: trace = 2.396417089640879 (0.00149289% change)
linmin: converged after 4 iterations.
iteration 735: trace = 2.396375339372929 (0.00174221% change)
linmin: converged after 4 iterations.
iteration 736: trace = 2.396353827080573 (0.000897705% change)
linmin: converged after 5 iterations.
iteration 737: trace = 2.396332295684323 (0.000898511% change)
linmin: converged after 4 iterations.
iteration 738: trace = 2.396315736672283 (0.000691017% change)
linmin: converged after 6 iterations.
iteration 739: trace = 2.396312630559705 (0.00012962% change)
large trace change predicted (0.000333809%)
linmin: converged after 4 iterations.
iteration 740: trace = 2.396304633084968 (0.000333741% change)
linmin: converged after 11 iterations.
iteration 741: trace = 2.396297636871418 (0.000291959% change)
linmin: converged after 5 iterations.
iteration 742: trace = 2.396293503591808 (0.000172486% change)
large trace change predicted (0.000966486%)
linmin: converged after 5 iterations.
iteration 743: trace = 2.396270350438698 (0.000966212% change)
linmin: converged after 4 iterations.
iteration 744: trace = 2.39625559887979 (0.000615607% change)
large trace change predicted (0.00156451%)
linmin: converged after 5 iterations.
iteration 745: trace = 2.396218132081826 (0.00156357% change)
linmin: converged after 7 iterations.
iteration 746: trace = 2.396169474875157 (0.0020306% change)
linmin: converged after 5 iterations.
iteration 747: trace = 2.396147015181723 (0.000937321% change)
linmin: converged after 3 iterations.
iteration 748: trace = 2.396112948043588 (0.00142176% change)
linmin: converged after 3 iterations.
iteration 749: trace = 2.396072068815776 (0.00170608% change)
linmin: converged after 5 iterations.
iteration 750: trace = 2.396054100642392 (0.000749904% change)
linmin: converged after 7 iterations.
iteration 751: trace = 2.396027193967936 (0.00112296% change)
linmin: converged after 5 iterations.
iteration 752: trace = 2.396019695526097 (0.000312954% change)
linmin: converged after 4 iterations.
iteration 753: trace = 2.396005374020965 (0.000597722% change)
linmin: converged after 3 iterations.
iteration 754: trace = 2.395994483785818 (0.000454517% change)
linmin: converged after 4 iterations.
iteration 755: trace = 2.395989219877737 (0.000219696% change)
large trace change predicted (0.000528901%)
linmin: converged after 7 iterations.
iteration 756: trace = 2.395976548034334 (0.000528879% change)
linmin: converged after 4 iterations.
iteration 757: trace = 2.395965620400097 (0.000456084% change)
linmin: converged after 4 iterations.
iteration 758: trace = 2.395957841866318 (0.000324652% change)
linmin: converged after 17 iterations.
iteration 759: trace = 2.395945239267996 (0.000525996% change)
linmin: converged after 7 iterations.
iteration 760: trace = 2.395939241072151 (0.000250348% change)
linmin: converged after 4 iterations.
iteration 761: trace = 2.395929689734224 (0.000398648% change)
linmin: converged after 5 iterations.
iteration 762: trace = 2.395923084939838 (0.000275668% change)
linmin: converged after 3 iterations.
iteration 763: trace = 2.395910336231919 (0.000532101% change)
linmin: converged after 6 iterations.
iteration 764: trace = 2.395893421942324 (0.000705968% change)
linmin: converged after 5 iterations.
iteration 765: trace = 2.395869296266789 (0.00100696% change)
linmin: converged after 5 iterations.
iteration 766: trace = 2.39584030701188 (0.00120998% change)
linmin: converged after 5 iterations.
iteration 767: trace = 2.395803582852315 (0.00153284% change)
large trace change predicted (0.00586152%)
linmin: converged after 7 iterations.
iteration 768: trace = 2.395663429710101 (0.00585011% change)
linmin: converged after 5 iterations.
iteration 769: trace = 2.395561522454289 (0.00425391% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 770: trace = 2.395446000829811 (0.00482244% change)
linmin: converged after 3 iterations.
iteration 771: trace = 2.395361967144426 (0.00350812% change)
linmin: converged after 4 iterations.
iteration 772: trace = 2.39531206531116 (0.00208329% change)
linmin: converged after 6 iterations.
iteration 773: trace = 2.395303117794417 (0.000373544% change)
large trace change predicted (0.00108904%)
linmin: converged after 5 iterations.
iteration 774: trace = 2.39527703439986 (0.00108895% change)
linmin: converged after 6 iterations.
iteration 775: trace = 2.395267669889619 (0.000390958% change)
linmin: converged after 7 iterations.
iteration 776: trace = 2.395260993343948 (0.000278739% change)
linmin: converged after 18 iterations.
iteration 777: trace = 2.395252458157278 (0.000356337% change)
linmin: converged after 5 iterations.
iteration 778: trace = 2.395248379129995 (0.000170296% change)
linmin: converged after 4 iterations.
iteration 779: trace = 2.395241166995908 (0.000301102% change)
linmin: converged after 4 iterations.
iteration 780: trace = 2.395229930896045 (0.000469102% change)
linmin: converged after 6 iterations.
iteration 781: trace = 2.395226872926693 (0.000127669% change)
large trace change predicted (0.000483009%)
linmin: converged after 5 iterations.
iteration 782: trace = 2.39521530600261 (0.000482917% change)
linmin: converged after 4 iterations.
iteration 783: trace = 2.395209276857976 (0.000251717% change)
linmin: converged after 4 iterations.
iteration 784: trace = 2.395202014511145 (0.000303203% change)
linmin: converged after 3 iterations.
iteration 785: trace = 2.39519001973183 (0.000500785% change)
linmin: converged after 5 iterations.
iteration 786: trace = 2.395183202267537 (0.000284632% change)
large trace change predicted (0.000592757%)
linmin: converged after 4 iterations.
iteration 787: trace = 2.39516900163785 (0.000592885% change)
large trace change predicted (0.00130179%)
linmin: converged after 4 iterations.
iteration 788: trace = 2.395137816835079 (0.001302% change)
linmin: converged after 5 iterations.
iteration 789: trace = 2.395126514085332 (0.000471905% change)
large trace change predicted (0.00159137%)
linmin: converged after 6 iterations.
iteration 790: trace = 2.395088394572273 (0.00159156% change)
linmin: converged after 5 iterations.
iteration 791: trace = 2.395072452947586 (0.000665599% change)
linmin: converged after 5 iterations.
iteration 792: trace = 2.395050389543344 (0.000921204% change)
linmin: converged after 5 iterations.
iteration 793: trace = 2.39502083065363 (0.00123417% change)
linmin: converged after 5 iterations.
iteration 794: trace = 2.395015504693964 (0.000222377% change)
large trace change predicted (0.000737543%)
linmin: converged after 5 iterations.
iteration 795: trace = 2.394997837856636 (0.000737653% change)
linmin: converged after 5 iterations.
iteration 796: trace = 2.394991097299907 (0.000281444% change)
linmin: converged after 7 iterations.
iteration 797: trace = 2.394987425337961 (0.000153319% change)
linmin: converged after 5 iterations.
iteration 798: trace = 2.394981614329743 (0.000242632% change)
linmin: converged after 9 iterations.
iteration 799: trace = 2.394978482568882 (0.000130764% change)
large trace change predicted (0.00027808%)
linmin: converged after 5 iterations.
iteration 800: trace = 2.394971822877183 (0.000278069% change)
linmin: converged after 5 iterations.
iteration 801: trace = 2.394960933439378 (0.00045468% change)
linmin: converged after 5 iterations.
iteration 802: trace = 2.39495345903919 (0.000312089% change)
large trace change predicted (0.00109941%)
linmin: converged after 9 iterations.
iteration 803: trace = 2.394927131361643 (0.0010993% change)
linmin: converged after 3 iterations.
iteration 804: trace = 2.394916959856176 (0.000424711% change)
large trace change predicted (0.000963014%)
linmin: converged after 4 iterations.
iteration 805: trace = 2.394893897628245 (0.00096297% change)
linmin: converged after 3 iterations.
iteration 806: trace = 2.394868149668156 (0.00107512% change)
linmin: converged after 5 iterations.
iteration 807: trace = 2.394857819206549 (0.000431359% change)
large trace change predicted (0.00144494%)
linmin: converged after 5 iterations.
iteration 808: trace = 2.394823208703843 (0.00144521% change)
linmin: converged after 5 iterations.
iteration 809: trace = 2.394803583396851 (0.000819492% change)
large trace change predicted (0.0022392%)
linmin: converged after 3 iterations.
iteration 810: trace = 2.394749946297767 (0.00223975% change)
linmin: converged after 3 iterations.
iteration 811: trace = 2.394727258261355 (0.000947412% change)
linmin: converged after 5 iterations.
iteration 812: trace = 2.39469443776746 (0.00137054% change)
linmin: converged after 4 iterations.
iteration 813: trace = 2.394668229468161 (0.00109444% change)
linmin: converged after 8 iterations.
iteration 814: trace = 2.394658589003982 (0.000402581% change)
large trace change predicted (0.000913792%)
linmin: converged after 4 iterations.
iteration 815: trace = 2.394636705905853 (0.000913834% change)
linmin: converged after 5 iterations.
iteration 816: trace = 2.394632307094083 (0.000183694% change)
large trace change predicted (0.000516255%)
linmin: converged after 4 iterations.
iteration 817: trace = 2.394619943895298 (0.000516289% change)
linmin: converged after 4 iterations.
iteration 818: trace = 2.39461671943049 (0.000134655% change)
large trace change predicted (0.000326782%)
linmin: converged after 4 iterations.
iteration 819: trace = 2.394608892271069 (0.000326865% change)
linmin: converged after 4 iterations.
iteration 820: trace = 2.39460260303577 (0.000262642% change)
large trace change predicted (0.000660226%)
linmin: converged after 4 iterations.
iteration 821: trace = 2.394586792377225 (0.000660264% change)
linmin: converged after 5 iterations.
iteration 822: trace = 2.394576647914976 (0.000423642% change)
large trace change predicted (0.0013203%)
linmin: converged after 4 iterations.
iteration 823: trace = 2.394545024131449 (0.00132065% change)
linmin: converged after 5 iterations.
iteration 824: trace = 2.394529067311698 (0.000666384% change)
large trace change predicted (0.0014456%)
linmin: converged after 6 iterations.
iteration 825: trace = 2.394494452940763 (0.00144557% change)
linmin: converged after 5 iterations.
iteration 826: trace = 2.394471338000631 (0.000965342% change)
linmin: converged after 5 iterations.
iteration 827: trace = 2.394442762291112 (0.00119341% change)
linmin: converged after 4 iterations.
iteration 828: trace = 2.3944131619857 (0.00123622% change)
linmin: converged after 6 iterations.
iteration 829: trace = 2.394388774008185 (0.00101854% change)
linmin: converged after 4 iterations.
iteration 830: trace = 2.394357474389021 (0.00130722% change)
linmin: converged after 9 iterations.
iteration 831: trace = 2.394348803618946 (0.000362134% change)
large trace change predicted (0.000955955%)
linmin: converged after 6 iterations.
iteration 832: trace = 2.39432591439819 (0.000955973% change)
linmin: converged after 5 iterations.
iteration 833: trace = 2.39432053798157 (0.000224548% change)
large trace change predicted (0.00053403%)
linmin: converged after 4 iterations.
iteration 834: trace = 2.394307751493337 (0.000534036% change)
linmin: converged after 5 iterations.
iteration 835: trace = 2.394297874893897 (0.000412504% change)
linmin: converged after 6 iterations.
iteration 836: trace = 2.39428188357044 (0.000667894% change)
linmin: converged after 4 iterations.
iteration 837: trace = 2.394272584284218 (0.000388396% change)
linmin: converged after 6 iterations.
iteration 838: trace = 2.39425758168261 (0.000626606% change)
linmin: converged after 6 iterations.
iteration 839: trace = 2.394251619057628 (0.000249039% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 840: trace = 2.394247018378142 (0.000192155% change)
linmin: converged after 4 iterations.
iteration 841: trace = 2.394240730996433 (0.000262604% change)
linmin: converged after 5 iterations.
iteration 842: trace = 2.39423740212113 (0.000139037% change)
linmin: converged after 5 iterations.
iteration 843: trace = 2.394233315222262 (0.000170697% change)
large trace change predicted (0.000392461%)
linmin: converged after 4 iterations.
iteration 844: trace = 2.394223918867664 (0.000392459% change)
linmin: converged after 6 iterations.
iteration 845: trace = 2.394217129012838 (0.000283594% change)
large trace change predicted (0.000995882%)
linmin: converged after 9 iterations.
iteration 846: trace = 2.394193287726607 (0.000995791% change)
linmin: converged after 5 iterations.
iteration 847: trace = 2.394164659397895 (0.00119575% change)
linmin: converged after 5 iterations.
iteration 848: trace = 2.394146477985685 (0.000759408% change)
linmin: converged after 5 iterations.
iteration 849: trace = 2.394118677440451 (0.00116119% change)
linmin: converged after 8 iterations.
iteration 850: trace = 2.394100569723913 (0.000756345% change)
linmin: converged after 7 iterations.
iteration 851: trace = 2.394085040503797 (0.000648647% change)
linmin: converged after 5 iterations.
iteration 852: trace = 2.394058508701435 (0.00110823% change)
linmin: converged after 5 iterations.
iteration 853: trace = 2.394050704300158 (0.000325991% change)
large trace change predicted (0.000906446%)
linmin: converged after 4 iterations.
iteration 854: trace = 2.394029009269474 (0.00090621% change)
linmin: converged after 6 iterations.
iteration 855: trace = 2.394010463856044 (0.000774656% change)
linmin: converged after 5 iterations.
iteration 856: trace = 2.393999549743469 (0.000455893% change)
linmin: converged after 5 iterations.
iteration 857: trace = 2.393987397629052 (0.000507609% change)
linmin: converged after 5 iterations.
iteration 858: trace = 2.393979059743142 (0.000348285% change)
linmin: converged after 5 iterations.
iteration 859: trace = 2.393969684977145 (0.000391598% change)
linmin: converged after 5 iterations.
iteration 860: trace = 2.393956602342794 (0.000546484% change)
linmin: converged after 6 iterations.
iteration 861: trace = 2.393953517956382 (0.000128841% change)
large trace change predicted (0.000386561%)
linmin: converged after 3 iterations.
iteration 862: trace = 2.393944264918082 (0.000386518% change)
linmin: converged after 5 iterations.
iteration 863: trace = 2.393939947243642 (0.000180358% change)
linmin: converged after 6 iterations.
iteration 864: trace = 2.393935382371547 (0.000190685% change)
large trace change predicted (0.000410599%)
linmin: converged after 4 iterations.
iteration 865: trace = 2.393925554810664 (0.00041052% change)
linmin: converged after 3 iterations.
iteration 866: trace = 2.393921401819164 (0.000173481% change)
large trace change predicted (0.000897989%)
linmin: converged after 5 iterations.
iteration 867: trace = 2.393899912625584 (0.000897661% change)
linmin: converged after 5 iterations.
iteration 868: trace = 2.393883807713726 (0.00067275% change)
linmin: converged after 6 iterations.
iteration 869: trace = 2.393857993439342 (0.00107835% change)
linmin: converged after 3 iterations.
iteration 870: trace = 2.393835476789239 (0.000940605% change)
linmin: converged after 5 iterations.
iteration 871: trace = 2.393823449454628 (0.000502431% change)
linmin: converged after 5 iterations.
iteration 872: trace = 2.393808661256593 (0.000617767% change)
linmin: converged after 7 iterations.
iteration 873: trace = 2.39379907792828 (0.000400339% change)
linmin: converged after 7 iterations.
iteration 874: trace = 2.393796378856954 (0.000112753% change)
large trace change predicted (0.000250074%)
linmin: converged after 6 iterations.
iteration 875: trace = 2.393790392806315 (0.000250065% change)
linmin: converged after 5 iterations.
iteration 876: trace = 2.393788677586883 (7.16529e-05% change)
large trace change predicted (0.000176967%)
linmin: converged after 4 iterations.
iteration 877: trace = 2.393784441338881 (0.000176968% change)
linmin: converged after 4 iterations.
iteration 878: trace = 2.393781925185881 (0.000105112% change)
linmin: converged after 3 iterations.
iteration 879: trace = 2.393779396618886 (0.000105631% change)
linmin: converged after 9 iterations.
iteration 880: trace = 2.393775749376786 (0.000152363% change)
linmin: converged after 4 iterations.
iteration 881: trace = 2.393773369391051 (9.9424e-05% change)
linmin: converged after 8 iterations.
iteration 882: trace = 2.393771473512882 (7.92004e-05% change)
linmin: converged after 5 iterations.
iteration 883: trace = 2.393768005206534 (0.000144889% change)
linmin: converged after 5 iterations.
iteration 884: trace = 2.393766805203668 (5.01303e-05% change)
large trace change predicted (0.000131512%)
linmin: converged after 7 iterations.
iteration 885: trace = 2.393763657446417 (0.000131498% change)
linmin: converged after 4 iterations.
iteration 886: trace = 2.393762139110225 (6.34288e-05% change)
large trace change predicted (0.000188711%)
linmin: converged after 6 iterations.
iteration 887: trace = 2.393757622585064 (0.000188679% change)
linmin: converged after 5 iterations.
iteration 888: trace = 2.393755058787127 (0.000107104% change)
large trace change predicted (0.000235285%)
linmin: converged after 5 iterations.
iteration 889: trace = 2.393749428029932 (0.000235227% change)
large trace change predicted (0.000489323%)
linmin: converged after 5 iterations.
iteration 890: trace = 2.393737717294975 (0.000489223% change)
linmin: converged after 10 iterations.
iteration 891: trace = 2.393733905186699 (0.000159254% change)
large trace change predicted (0.000441211%)
linmin: converged after 5 iterations.
iteration 892: trace = 2.393723346536241 (0.000441096% change)
linmin: converged after 5 iterations.
iteration 893: trace = 2.393714695224546 (0.000361417% change)
linmin: converged after 5 iterations.
iteration 894: trace = 2.393709086918766 (0.000234293% change)
linmin: converged after 4 iterations.
iteration 895: trace = 2.393700296752916 (0.00036722% change)
linmin: converged after 5 iterations.
iteration 896: trace = 2.393697932823406 (9.87563e-05% change)
linmin: converged after 6 iterations.
iteration 897: trace = 2.39369457942503 (0.000140093% change)
linmin: converged after 5 iterations.
iteration 898: trace = 2.393691330580075 (0.000135725% change)
linmin: converged after 9 iterations.
iteration 899: trace = 2.393690362010347 (4.04634e-05% change)
large trace change predicted (9.00742e-05%)
linmin: converged after 5 iterations.
iteration 900: trace = 2.393688205903 (9.00747e-05% change)
linmin: converged after 4 iterations.
iteration 901: trace = 2.393687125237036 (4.51465e-05% change)
linmin: converged after 6 iterations.
iteration 902: trace = 2.393686390307186 (3.07028e-05% change)
large trace change predicted (7.37474e-05%)
linmin: converged after 5 iterations.
iteration 903: trace = 2.393684624996794 (7.37486e-05% change)
linmin: converged after 8 iterations.
iteration 904: trace = 2.39368388729822 (3.08185e-05% change)
large trace change predicted (6.48271e-05%)
linmin: converged after 5 iterations.
iteration 905: trace = 2.393682335492059 (6.48292e-05% change)
linmin: converged after 4 iterations.
iteration 906: trace = 2.393681053304419 (5.35655e-05% change)
linmin: converged after 6 iterations.
iteration 907: trace = 2.393680125376674 (3.87657e-05% change)
large trace change predicted (0.000105541%)
linmin: converged after 7 iterations.
iteration 908: trace = 2.393677599055989 (0.000105541% change)
linmin: converged after 6 iterations.
iteration 909: trace = 2.393676660422464 (3.9213e-05% change)
resetting CG direction...
linmin: converged after 8 iterations.
iteration 910: trace = 2.393675256822327 (5.86379e-05% change)
linmin: converged after 8 iterations.
iteration 911: trace = 2.39367401860537 (5.17287e-05% change)
linmin: converged after 5 iterations.
iteration 912: trace = 2.393672036272664 (8.28155e-05% change)
linmin: converged after 4 iterations.
iteration 913: trace = 2.3936712218868 (3.40225e-05% change)
large trace change predicted (7.80272e-05%)
linmin: converged after 13 iterations.
iteration 914: trace = 2.393669354254907 (7.80238e-05% change)
linmin: converged after 7 iterations.
iteration 915: trace = 2.393667347968376 (8.38164e-05% change)
linmin: converged after 4 iterations.
iteration 916: trace = 2.393666027571924 (5.51621e-05% change)
large trace change predicted (0.000176944%)
linmin: converged after 3 iterations.
iteration 917: trace = 2.393661792224028 (0.00017694% change)
linmin: converged after 8 iterations.
iteration 918: trace = 2.393659977869249 (7.57983e-05% change)
large trace change predicted (0.000261705%)
linmin: converged after 4 iterations.
iteration 919: trace = 2.393653713153222 (0.000261722% change)
large trace change predicted (0.000525329%)
linmin: converged after 4 iterations.
iteration 920: trace = 2.393641139173828 (0.000525306% change)
linmin: converged after 5 iterations.
iteration 921: trace = 2.393637173281394 (0.000165685% change)
large trace change predicted (0.000587883%)
linmin: converged after 2 iterations.
iteration 922: trace = 2.393623101441448 (0.000587887% change)
linmin: converged after 5 iterations.
iteration 923: trace = 2.393617378110959 (0.000239108% change)
linmin: converged after 5 iterations.
iteration 924: trace = 2.393610570184294 (0.00028442% change)
linmin: converged after 2 iterations.
iteration 925: trace = 2.393606976367428 (0.000150142% change)
linmin: converged after 5 iterations.
iteration 926: trace = 2.393604915507091 (8.60986e-05% change)
linmin: converged after 5 iterations.
iteration 927: trace = 2.393602662574684 (9.4123e-05% change)
linmin: converged after 6 iterations.
iteration 928: trace = 2.393599526707307 (0.00013101% change)
linmin: converged after 5 iterations.
iteration 929: trace = 2.393598544621478 (4.10297e-05% change)
large trace change predicted (0.000228181%)
linmin: converged after 6 iterations.
iteration 930: trace = 2.393593082408059 (0.000228201% change)
linmin: converged after 4 iterations.
iteration 931: trace = 2.393590793397207 (9.56308e-05% change)
linmin: converged after 6 iterations.
iteration 932: trace = 2.39358866122074 (8.90786e-05% change)
linmin: converged after 6 iterations.
iteration 933: trace = 2.393585957391196 (0.000112961% change)
linmin: converged after 11 iterations.
iteration 934: trace = 2.393584751895689 (5.03636e-05% change)
large trace change predicted (0.000126726%)
linmin: converged after 4 iterations.
iteration 935: trace = 2.393581718485331 (0.000126731% change)
linmin: converged after 4 iterations.
iteration 936: trace = 2.393577778260109 (0.000164616% change)
linmin: converged after 4 iterations.
iteration 937: trace = 2.393575002518244 (0.000115966% change)
large trace change predicted (0.000383097%)
linmin: converged after 4 iterations.
iteration 938: trace = 2.393565832420546 (0.000383114% change)
linmin: converged after 5 iterations.
iteration 939: trace = 2.393561807898419 (0.000168139% change)
large trace change predicted (0.000462652%)
linmin: converged after 6 iterations.
iteration 940: trace = 2.393550733222387 (0.000462687% change)
linmin: converged after 3 iterations.
iteration 941: trace = 2.393535304928824 (0.00064458% change)
linmin: converged after 5 iterations.
iteration 942: trace = 2.393531059929306 (0.000177353% change)
large trace change predicted (0.000688658%)
linmin: converged after 4 iterations.
iteration 943: trace = 2.393514572929078 (0.000688817% change)
linmin: converged after 7 iterations.
iteration 944: trace = 2.393511712295858 (0.000119516% change)
large trace change predicted (0.000310619%)
linmin: converged after 7 iterations.
iteration 945: trace = 2.393504277209264 (0.000310636% change)
linmin: converged after 3 iterations.
iteration 946: trace = 2.393499975791604 (0.000179712% change)
linmin: converged after 8 iterations.
iteration 947: trace = 2.393497853822178 (8.86555e-05% change)
linmin: converged after 9 iterations.
iteration 948: trace = 2.393493693150467 (0.000173832% change)
linmin: converged after 5 iterations.
iteration 949: trace = 2.393492334561417 (5.67618e-05% change)
large trace change predicted (0.000187199%)
linmin: converged after 5 iterations.
iteration 950: trace = 2.39348785414673 (0.000187192% change)
linmin: converged after 4 iterations.
iteration 951: trace = 2.39348587582906 (8.26542e-05% change)
large trace change predicted (0.000178629%)
linmin: converged after 7 iterations.
iteration 952: trace = 2.393481600247808 (0.000178634% change)
linmin: converged after 5 iterations.
iteration 953: trace = 2.39347692247818 (0.000195438% change)
linmin: converged after 11 iterations.
iteration 954: trace = 2.393473655133765 (0.00013651% change)
large trace change predicted (0.000313851%)
linmin: converged after 4 iterations.
iteration 955: trace = 2.393466142652732 (0.000313874% change)
linmin: converged after 4 iterations.
iteration 956: trace = 2.393463868046369 (9.5034e-05% change)
large trace change predicted (0.000418813%)
linmin: converged after 8 iterations.
iteration 957: trace = 2.393453843375263 (0.000418836% change)
linmin: converged after 5 iterations.
iteration 958: trace = 2.39344901599197 (0.000201691% change)
linmin: converged after 11 iterations.
iteration 959: trace = 2.393440729339197 (0.000346223% change)
linmin: converged after 2 iterations.
iteration 960: trace = 2.393428348372357 (0.000517289% change)
linmin: converged after 6 iterations.
iteration 961: trace = 2.393422316209366 (0.000252031% change)
large trace change predicted (0.000541434%)
linmin: converged after 5 iterations.
iteration 962: trace = 2.393409356283079 (0.000541482% change)
linmin: converged after 4 iterations.
iteration 963: trace = 2.393401263835993 (0.000338114% change)
linmin: converged after 5 iterations.
iteration 964: trace = 2.393394561352574 (0.00028004% change)
linmin: converged after 4 iterations.
iteration 965: trace = 2.393386505970443 (0.000336568% change)
linmin: converged after 6 iterations.
iteration 966: trace = 2.393385190822643 (5.49493e-05% change)
large trace change predicted (0.000118563%)
linmin: converged after 16 iterations.
iteration 967: trace = 2.393382353086626 (0.000118566% change)
linmin: converged after 5 iterations.
iteration 968: trace = 2.393381181893887 (4.89346e-05% change)
linmin: converged after 7 iterations.
iteration 969: trace = 2.3933805328801 (2.7117e-05% change)
large trace change predicted (0.000181798%)
linmin: converged after 8 iterations.
iteration 970: trace = 2.393376181817789 (0.000181796% change)
linmin: converged after 9 iterations.
iteration 971: trace = 2.393373223172943 (0.000123618% change)
large trace change predicted (0.000492744%)
linmin: converged after 2 iterations.
iteration 972: trace = 2.393361429904624 (0.000492748% change)
linmin: converged after 6 iterations.
iteration 973: trace = 2.393353646190783 (0.000325222% change)
linmin: converged after 2 iterations.
iteration 974: trace = 2.393347058955424 (0.000275231% change)
large trace change predicted (0.000950491%)
linmin: converged after 5 iterations.
iteration 975: trace = 2.393324316201265 (0.000950253% change)
linmin: converged after 5 iterations.
iteration 976: trace = 2.393304861281281 (0.000812886% change)
linmin: converged after 6 iterations.
iteration 977: trace = 2.393285512887282 (0.000808442% change)
linmin: converged after 7 iterations.
iteration 978: trace = 2.393257231805932 (0.00118169% change)
linmin: converged after 8 iterations.
iteration 979: trace = 2.393240470480591 (0.000700359% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 980: trace = 2.393229675769142 (0.000451051% change)
linmin: converged after 2 iterations.
iteration 981: trace = 2.393213328298975 (0.000683074% change)
linmin: converged after 6 iterations.
iteration 982: trace = 2.393206244075379 (0.000296013% change)
linmin: converged after 12 iterations.
iteration 983: trace = 2.393195714076674 (0.000439996% change)
linmin: converged after 4 iterations.
iteration 984: trace = 2.393181283727592 (0.000602976% change)
linmin: converged after 5 iterations.
iteration 985: trace = 2.393178078158251 (0.000133946% change)
linmin: converged after 6 iterations.
iteration 986: trace = 2.393172412926989 (0.000236724% change)
linmin: converged after 9 iterations.
iteration 987: trace = 2.393168218120694 (0.000175282% change)
linmin: converged after 5 iterations.
iteration 988: trace = 2.393165802343699 (0.000100945% change)
linmin: converged after 5 iterations.
iteration 989: trace = 2.393163810951547 (8.32117e-05% change)
linmin: converged after 8 iterations.
iteration 990: trace = 2.393163372187489 (1.83341e-05% change)
linmin: converged after 4 iterations.
iteration 991: trace = 2.393162746304638 (2.6153e-05% change)
linmin: converged after 9 iterations.
iteration 992: trace = 2.393162189396757 (2.32708e-05% change)
linmin: converged after 8 iterations.
iteration 993: trace = 2.393161592991656 (2.49212e-05% change)
large trace change predicted (7.46428e-05%)
linmin: converged after 5 iterations.
iteration 994: trace = 2.393159806696539 (7.46417e-05% change)
linmin: converged after 6 iterations.
iteration 995: trace = 2.3931591415583 (2.77933e-05% change)
large trace change predicted (0.000156041%)
linmin: converged after 12 iterations.
iteration 996: trace = 2.393155407416231 (0.000156034% change)
linmin: converged after 5 iterations.
iteration 997: trace = 2.393152484432109 (0.000122139% change)
linmin: converged after 6 iterations.
iteration 998: trace = 2.393150548174597 (8.09083e-05% change)
large trace change predicted (0.00018734%)
linmin: converged after 6 iterations.
iteration 999: trace = 2.393146065288985 (0.000187322% change)
linmin: converged after 12 iterations.
iteration 1000: trace = 2.393144529208922 (6.41867e-05% change)
linmin: converged after 4 iterations.
iteration 1001: trace = 2.393141662350265 (0.000119795% change)
linmin: converged after 8 iterations.
iteration 1002: trace = 2.393138838538488 (0.000117996% change)
linmin: converged after 11 iterations.
iteration 1003: trace = 2.393137228755537 (6.72666e-05% change)
linmin: converged after 4 iterations.
iteration 1004: trace = 2.39313520329853 (8.46361e-05% change)
linmin: converged after 14 iterations.
iteration 1005: trace = 2.393133207704009 (8.33883e-05% change)
linmin: converged after 9 iterations.
iteration 1006: trace = 2.393132610543489 (2.49531e-05% change)
large trace change predicted (5.47737e-05%)
linmin: converged after 3 iterations.
iteration 1007: trace = 2.393131299809351 (5.47707e-05% change)
linmin: converged after 7 iterations.
iteration 1008: trace = 2.393130886426975 (1.72737e-05% change)
linmin: converged after 5 iterations.
iteration 1009: trace = 2.393130103895016 (3.26991e-05% change)
linmin: converged after 5 iterations.
iteration 1010: trace = 2.393129478933514 (2.61148e-05% change)
linmin: converged after 4 iterations.
iteration 1011: trace = 2.393129195091729 (1.18607e-05% change)
large trace change predicted (2.697e-05%)
linmin: converged after 4 iterations.
iteration 1012: trace = 2.393128549667149 (2.69699e-05% change)
linmin: converged after 4 iterations.
iteration 1013: trace = 2.393127567135252 (4.10564e-05% change)
linmin: converged after 4 iterations.
iteration 1014: trace = 2.393126731813706 (3.4905e-05% change)
large trace change predicted (0.000102834%)
linmin: converged after 4 iterations.
iteration 1015: trace = 2.39312427099151 (0.000102829% change)
linmin: converged after 5 iterations.
iteration 1016: trace = 2.393123346184447 (3.86443e-05% change)
large trace change predicted (9.30866e-05%)
linmin: converged after 4 iterations.
iteration 1017: trace = 2.393121118598962 (9.30828e-05% change)
linmin: converged after 6 iterations.
iteration 1018: trace = 2.39311856829342 (0.000106568% change)
linmin: converged after 2 iterations.
iteration 1019: trace = 2.393117514873111 (4.40187e-05% change)
large trace change predicted (0.000109838%)
linmin: converged after 10 iterations.
iteration 1020: trace = 2.393114886671852 (0.000109823% change)
linmin: converged after 2 iterations.
iteration 1021: trace = 2.393114448232042 (1.83209e-05% change)
large trace change predicted (5.39211e-05%)
linmin: converged after 6 iterations.
iteration 1022: trace = 2.393113157892465 (5.39189e-05% change)
linmin: converged after 4 iterations.
iteration 1023: trace = 2.393112739277629 (1.74925e-05% change)
linmin: converged after 10 iterations.
iteration 1024: trace = 2.393112439682988 (1.2519e-05% change)
linmin: converged after 4 iterations.
iteration 1025: trace = 2.393111959127437 (2.00808e-05% change)
linmin: converged after 4 iterations.
iteration 1026: trace = 2.393111692572611 (1.11384e-05% change)
linmin: converged after 6 iterations.
iteration 1027: trace = 2.39311118731892 (2.11128e-05% change)
linmin: converged after 12 iterations.
iteration 1028: trace = 2.393110553335849 (2.6492e-05% change)
linmin: converged after 6 iterations.
iteration 1029: trace = 2.393110302941346 (1.04631e-05% change)
large trace change predicted (2.87393e-05%)
linmin: converged after 4 iterations.
iteration 1030: trace = 2.39310961519759 (2.87385e-05% change)
linmin: converged after 4 iterations.
iteration 1031: trace = 2.393109367328365 (1.03576e-05% change)
linmin: converged after 7 iterations.
iteration 1032: trace = 2.393109101909643 (1.1091e-05% change)
large trace change predicted (2.41367e-05%)
linmin: converged after 4 iterations.
iteration 1033: trace = 2.393108524310404 (2.41359e-05% change)
linmin: converged after 4 iterations.
iteration 1034: trace = 2.393108349375666 (7.30994e-06% change)
large trace change predicted (4.05937e-05%)
linmin: converged after 12 iterations.
iteration 1035: trace = 2.393107377921311 (4.05938e-05% change)
linmin: converged after 6 iterations.
iteration 1036: trace = 2.393106544994858 (3.48052e-05% change)
linmin: converged after 8 iterations.
iteration 1037: trace = 2.393105312093327 (5.15189e-05% change)
linmin: converged after 6 iterations.
iteration 1038: trace = 2.39310418081785 (4.72723e-05% change)
linmin: converged after 16 iterations.
iteration 1039: trace = 2.393103625918671 (2.31874e-05% change)
linmin: converged after 6 iterations.
iteration 1040: trace = 2.393102818169142 (3.37532e-05% change)
linmin: converged after 4 iterations.
iteration 1041: trace = 2.393102591058088 (9.49023e-06% change)
linmin: converged after 5 iterations.
iteration 1042: trace = 2.393102220825425 (1.54708e-05% change)
linmin: converged after 10 iterations.
iteration 1043: trace = 2.39310201524262 (8.59064e-06% change)
linmin: converged after 7 iterations.
iteration 1044: trace = 2.393101887595564 (5.33396e-06% change)
linmin: converged after 4 iterations.
iteration 1045: trace = 2.393101742967519 (6.04354e-06% change)
linmin: converged after 4 iterations.
iteration 1046: trace = 2.393101662070973 (3.38041e-06% change)
linmin: converged after 13 iterations.
iteration 1047: trace = 2.393101511426409 (6.29495e-06% change)
linmin: converged after 4 iterations.
iteration 1048: trace = 2.393101376643174 (5.63216e-06% change)
linmin: converged after 4 iterations.
iteration 1049: trace = 2.393101226801514 (6.2614e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1050: trace = 2.39310112836271 (4.11344e-06% change)
linmin: converged after 4 iterations.
iteration 1051: trace = 2.393100994866044 (5.5784e-06% change)
linmin: converged after 4 iterations.
iteration 1052: trace = 2.39310081613479 (7.46861e-06% change)
linmin: converged after 4 iterations.
iteration 1053: trace = 2.393100753023583 (2.63721e-06% change)
large trace change predicted (6.22506e-06%)
linmin: converged after 6 iterations.
iteration 1054: trace = 2.393100604051623 (6.22506e-06% change)
linmin: converged after 22 iterations.
iteration 1055: trace = 2.393100417964137 (7.776e-06% change)
linmin: converged after 6 iterations.
iteration 1056: trace = 2.393100307822921 (4.60245e-06% change)
large trace change predicted (1.56514e-05%)
linmin: converged after 4 iterations.
iteration 1057: trace = 2.393099933284774 (1.56508e-05% change)
linmin: converged after 4 iterations.
iteration 1058: trace = 2.393099811867278 (5.07365e-06% change)
large trace change predicted (3.74113e-05%)
linmin: converged after 6 iterations.
iteration 1059: trace = 2.393098916623484 (3.74094e-05% change)
linmin: converged after 5 iterations.
iteration 1060: trace = 2.393098356388159 (2.34105e-05% change)
linmin: converged after 12 iterations.
iteration 1061: trace = 2.393097485111014 (3.64079e-05% change)
linmin: converged after 2 iterations.
iteration 1062: trace = 2.393096449267765 (4.32846e-05% change)
linmin: converged after 4 iterations.
iteration 1063: trace = 2.393096161268076 (1.20346e-05% change)
large trace change predicted (3.25804e-05%)
linmin: converged after 5 iterations.
iteration 1064: trace = 2.393095381571845 (3.25811e-05% change)
linmin: converged after 4 iterations.
iteration 1065: trace = 2.393095163875945 (9.09683e-06% change)
linmin: converged after 4 iterations.
iteration 1066: trace = 2.393094867597897 (1.23805e-05% change)
linmin: converged after 4 iterations.
iteration 1067: trace = 2.393094554655817 (1.30769e-05% change)
linmin: converged after 5 iterations.
iteration 1068: trace = 2.393094384542212 (7.10852e-06% change)
linmin: converged after 5 iterations.
iteration 1069: trace = 2.39309407001425 (1.31431e-05% change)
linmin: converged after 5 iterations.
iteration 1070: trace = 2.393093544973669 (2.19398e-05% change)
linmin: converged after 7 iterations.
iteration 1071: trace = 2.3930933717581 (7.23814e-06% change)
large trace change predicted (2.03637e-05%)
linmin: converged after 4 iterations.
iteration 1072: trace = 2.393092884426113 (2.03641e-05% change)
linmin: converged after 5 iterations.
iteration 1073: trace = 2.39309270613377 (7.45029e-06% change)
linmin: converged after 8 iterations.
iteration 1074: trace = 2.393092445736498 (1.08812e-05% change)
linmin: converged after 5 iterations.
iteration 1075: trace = 2.393092092814343 (1.47475e-05% change)
linmin: converged after 4 iterations.
iteration 1076: trace = 2.393091910411958 (7.62204e-06% change)
large trace change predicted (2.81377e-05%)
linmin: converged after 6 iterations.
iteration 1077: trace = 2.393091237038153 (2.81382e-05% change)
linmin: converged after 6 iterations.
iteration 1078: trace = 2.393090863867451 (1.55937e-05% change)
large trace change predicted (5.92594e-05%)
linmin: converged after 3 iterations.
iteration 1079: trace = 2.393089445617551 (5.92644e-05% change)
linmin: converged after 5 iterations.
iteration 1080: trace = 2.393088601198425 (3.52857e-05% change)
linmin: converged after 4 iterations.
iteration 1081: trace = 2.393087656900365 (3.94594e-05% change)
linmin: converged after 2 iterations.
iteration 1082: trace = 2.393086343648524 (5.48769e-05% change)
linmin: converged after 7 iterations.
iteration 1083: trace = 2.393085899772788 (1.85483e-05% change)
large trace change predicted (6.43883e-05%)
linmin: converged after 6 iterations.
iteration 1084: trace = 2.393084358843782 (6.43909e-05% change)
linmin: converged after 6 iterations.
iteration 1085: trace = 2.393084088825352 (1.12833e-05% change)
large trace change predicted (2.65218e-05%)
linmin: converged after 4 iterations.
iteration 1086: trace = 2.393083454134272 (2.65219e-05% change)
linmin: converged after 5 iterations.
iteration 1087: trace = 2.393083083349222 (1.5494e-05% change)
linmin: converged after 5 iterations.
iteration 1088: trace = 2.393082944869308 (5.78667e-06% change)
large trace change predicted (1.38278e-05%)
linmin: converged after 4 iterations.
iteration 1089: trace = 2.393082613949314 (1.38282e-05% change)
linmin: converged after 4 iterations.
iteration 1090: trace = 2.393082501702558 (4.69047e-06% change)
large trace change predicted (1.70856e-05%)
linmin: converged after 4 iterations.
iteration 1091: trace = 2.393082092816134 (1.70862e-05% change)
linmin: converged after 4 iterations.
iteration 1092: trace = 2.393081911922593 (7.55902e-06% change)
large trace change predicted (1.66515e-05%)
linmin: converged after 5 iterations.
iteration 1093: trace = 2.393081513423216 (1.66521e-05% change)
linmin: converged after 4 iterations.
iteration 1094: trace = 2.393081073514513 (1.83825e-05% change)
linmin: converged after 9 iterations.
iteration 1095: trace = 2.393080712540959 (1.50841e-05% change)
large trace change predicted (3.16772e-05%)
linmin: converged after 5 iterations.
iteration 1096: trace = 2.393079954486825 (3.16769e-05% change)
linmin: converged after 14 iterations.
iteration 1097: trace = 2.393079637526969 (1.32449e-05% change)
large trace change predicted (4.80173e-05%)
linmin: converged after 7 iterations.
iteration 1098: trace = 2.393078488439423 (4.80171e-05% change)
linmin: converged after 5 iterations.
iteration 1099: trace = 2.393078107331678 (1.59254e-05% change)
large trace change predicted (4.15036e-05%)
linmin: converged after 4 iterations.
iteration 1100: trace = 2.393077114143851 (4.15025e-05% change)
linmin: converged after 8 iterations.
iteration 1101: trace = 2.393076413745305 (2.92677e-05% change)
linmin: converged after 6 iterations.
iteration 1102: trace = 2.393075444196486 (4.05148e-05% change)
linmin: converged after 2 iterations.
iteration 1103: trace = 2.393073990404941 (6.07499e-05% change)
linmin: converged after 6 iterations.
iteration 1104: trace = 2.393073504941876 (2.02862e-05% change)
large trace change predicted (5.45688e-05%)
linmin: converged after 5 iterations.
iteration 1105: trace = 2.393072199021882 (5.45708e-05% change)
linmin: converged after 5 iterations.
iteration 1106: trace = 2.393071953318385 (1.02673e-05% change)
linmin: converged after 5 iterations.
iteration 1107: trace = 2.393071470072697 (2.01935e-05% change)
linmin: converged after 4 iterations.
iteration 1108: trace = 2.393071319652051 (6.28567e-06% change)
linmin: converged after 5 iterations.
iteration 1109: trace = 2.393071198125446 (5.07827e-06% change)
linmin: converged after 9 iterations.
iteration 1110: trace = 2.393070965954303 (9.70181e-06% change)
linmin: converged after 5 iterations.
iteration 1111: trace = 2.393070889654453 (3.18837e-06% change)
large trace change predicted (2.22932e-05%)
linmin: converged after 4 iterations.
iteration 1112: trace = 2.393070356181004 (2.22924e-05% change)
linmin: converged after 7 iterations.
iteration 1113: trace = 2.393069968449168 (1.62023e-05% change)
linmin: converged after 6 iterations.
iteration 1114: trace = 2.393069202793356 (3.19947e-05% change)
linmin: converged after 5 iterations.
iteration 1115: trace = 2.393068301127172 (3.76782e-05% change)
linmin: converged after 13 iterations.
iteration 1116: trace = 2.393067722048569 (2.41982e-05% change)
large trace change predicted (9.19829e-05%)
linmin: converged after 4 iterations.
iteration 1117: trace = 2.393065520867552 (9.19816e-05% change)
linmin: converged after 5 iterations.
iteration 1118: trace = 2.393064689941259 (3.47223e-05% change)
large trace change predicted (9.60855e-05%)
linmin: converged after 4 iterations.
iteration 1119: trace = 2.393062390556415 (9.60854e-05% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 1120: trace = 2.393061907647628 (2.01795e-05% change)
linmin: converged after 5 iterations.
iteration 1121: trace = 2.393061048252754 (3.59119e-05% change)
linmin: converged after 14 iterations.
iteration 1122: trace = 2.393059872855201 (4.91169e-05% change)
linmin: converged after 4 iterations.
iteration 1123: trace = 2.393059320051554 (2.31003e-05% change)
linmin: converged after 5 iterations.
iteration 1124: trace = 2.393058266865268 (4.401e-05% change)
linmin: converged after 3 iterations.
iteration 1125: trace = 2.393057894337316 (1.5567e-05% change)
linmin: converged after 12 iterations.
iteration 1126: trace = 2.393057397209215 (2.07738e-05% change)
linmin: converged after 9 iterations.
iteration 1127: trace = 2.393056929408738 (1.95482e-05% change)
linmin: converged after 8 iterations.
iteration 1128: trace = 2.393056793196666 (5.69197e-06% change)
linmin: converged after 7 iterations.
iteration 1129: trace = 2.393056636330743 (6.55504e-06% change)
linmin: converged after 6 iterations.
iteration 1130: trace = 2.393056577282556 (2.46748e-06% change)
linmin: converged after 9 iterations.
iteration 1131: trace = 2.393056481197897 (4.01514e-06% change)
linmin: converged after 3 iterations.
iteration 1132: trace = 2.393056313970586 (6.98802e-06% change)
linmin: converged after 5 iterations.
iteration 1133: trace = 2.393056213978011 (4.17845e-06% change)
large trace change predicted (9.53275e-06%)
linmin: converged after 16 iterations.
iteration 1134: trace = 2.393055985856769 (9.53263e-06% change)
linmin: converged after 6 iterations.
iteration 1135: trace = 2.393055885516753 (4.19297e-06% change)
large trace change predicted (1.62786e-05%)
linmin: converged after 4 iterations.
iteration 1136: trace = 2.393055495972824 (1.62781e-05% change)
linmin: converged after 4 iterations.
iteration 1137: trace = 2.393055147975143 (1.4542e-05% change)
linmin: converged after 9 iterations.
iteration 1138: trace = 2.393054722299685 (1.7788e-05% change)
linmin: converged after 7 iterations.
iteration 1139: trace = 2.393053983487088 (3.08732e-05% change)
linmin: converged after 6 iterations.
iteration 1140: trace = 2.393053620070797 (1.51863e-05% change)
linmin: converged after 4 iterations.
iteration 1141: trace = 2.393052957426222 (2.76903e-05% change)
linmin: converged after 8 iterations.
iteration 1142: trace = 2.393052809805668 (6.16871e-06% change)
linmin: converged after 6 iterations.
iteration 1143: trace = 2.39305254720378 (1.09735e-05% change)
linmin: converged after 12 iterations.
iteration 1144: trace = 2.393052428393714 (4.96479e-06% change)
linmin: converged after 7 iterations.
iteration 1145: trace = 2.393052292326862 (5.68591e-06% change)
linmin: converged after 21 iterations.
iteration 1146: trace = 2.393052178997177 (4.73578e-06% change)
linmin: converged after 5 iterations.
iteration 1147: trace = 2.393052085976461 (3.88712e-06% change)
linmin: converged after 15 iterations.
iteration 1148: trace = 2.393051973227678 (4.71151e-06% change)
linmin: converged after 18 iterations.
iteration 1149: trace = 2.393051919144841 (2.25999e-06% change)
linmin: converged after 4 iterations.
iteration 1150: trace = 2.393051817817489 (4.23423e-06% change)
linmin: converged after 16 iterations.
iteration 1151: trace = 2.393051757785931 (2.50858e-06% change)
linmin: converged after 4 iterations.
iteration 1152: trace = 2.393051650474429 (4.4843e-06% change)
linmin: converged after 9 iterations.
iteration 1153: trace = 2.393051547210451 (4.31516e-06% change)
linmin: converged after 4 iterations.
iteration 1154: trace = 2.393051497212539 (2.0893e-06% change)
large trace change predicted (8.09282e-06%)
linmin: converged after 4 iterations.
iteration 1155: trace = 2.393051303548169 (8.09278e-06% change)
linmin: converged after 4 iterations.
iteration 1156: trace = 2.393051246490884 (2.38429e-06% change)
large trace change predicted (1.28021e-05%)
linmin: converged after 4 iterations.
iteration 1157: trace = 2.393050940136558 (1.28018e-05% change)
linmin: converged after 5 iterations.
iteration 1158: trace = 2.393050633913529 (1.27963e-05% change)
linmin: converged after 5 iterations.
iteration 1159: trace = 2.393050426135584 (8.68256e-06% change)
linmin: converged after 4 iterations.
iteration 1160: trace = 2.393050014770256 (1.719e-05% change)
linmin: converged after 4 iterations.
iteration 1161: trace = 2.393049863877453 (6.30546e-06% change)
linmin: converged after 3 iterations.
iteration 1162: trace = 2.393049672894141 (7.98075e-06% change)
linmin: converged after 4 iterations.
iteration 1163: trace = 2.393049558484056 (4.78093e-06% change)
linmin: converged after 10 iterations.
iteration 1164: trace = 2.393049526234221 (1.34765e-06% change)
large trace change predicted (2.74476e-06%)
linmin: converged after 4 iterations.
iteration 1165: trace = 2.393049460550655 (2.74476e-06% change)
linmin: converged after 4 iterations.
iteration 1166: trace = 2.393049390118983 (2.94318e-06% change)
linmin: converged after 4 iterations.
iteration 1167: trace = 2.393049363325281 (1.11965e-06% change)
large trace change predicted (4.35704e-06%)
linmin: converged after 7 iterations.
iteration 1168: trace = 2.393049259059905 (4.35701e-06% change)
linmin: converged after 4 iterations.
iteration 1169: trace = 2.393049230382702 (1.19835e-06% change)
large trace change predicted (3.16191e-06%)
linmin: converged after 4 iterations.
iteration 1170: trace = 2.393049154716225 (3.16193e-06% change)
linmin: converged after 4 iterations.
iteration 1171: trace = 2.393049072669999 (3.42852e-06% change)
linmin: converged after 5 iterations.
iteration 1172: trace = 2.39304903426945 (1.60467e-06% change)
large trace change predicted (4.05615e-06%)
linmin: converged after 4 iterations.
iteration 1173: trace = 2.393048937205764 (4.05607e-06% change)
linmin: converged after 5 iterations.
iteration 1174: trace = 2.393048855806208 (3.4015e-06% change)
linmin: converged after 4 iterations.
iteration 1175: trace = 2.393048800788928 (2.29905e-06% change)
large trace change predicted (4.81272e-06%)
linmin: converged after 3 iterations.
iteration 1176: trace = 2.393048685618508 (4.81271e-06% change)
linmin: converged after 4 iterations.
iteration 1177: trace = 2.393048647964936 (1.57346e-06% change)
large trace change predicted (7.01633e-06%)
linmin: converged after 7 iterations.
iteration 1178: trace = 2.393048480059437 (7.01638e-06% change)
linmin: converged after 4 iterations.
iteration 1179: trace = 2.393048398886548 (3.39203e-06% change)
linmin: converged after 4 iterations.
iteration 1180: trace = 2.393048327179467 (2.99647e-06% change)
linmin: converged after 5 iterations.
iteration 1181: trace = 2.393048187641832 (5.83096e-06% change)
linmin: converged after 4 iterations.
iteration 1182: trace = 2.393048155801966 (1.33052e-06% change)
large trace change predicted (2.89437e-06%)
linmin: converged after 4 iterations.
iteration 1183: trace = 2.393048086539163 (2.89433e-06% change)
linmin: converged after 4 iterations.
iteration 1184: trace = 2.393048059027911 (1.14963e-06% change)
linmin: converged after 4 iterations.
iteration 1185: trace = 2.393048038484825 (8.58449e-07% change)
linmin: converged after 4 iterations.
iteration 1186: trace = 2.393048023757459 (6.15423e-07% change)
linmin: converged after 4 iterations.
iteration 1187: trace = 2.393048016414866 (3.0683e-07% change)
large trace change predicted (7.18518e-07%)
linmin: converged after 5 iterations.
iteration 1188: trace = 2.393047999219796 (7.18543e-07% change)
linmin: converged after 4 iterations.
iteration 1189: trace = 2.393047967625424 (1.32026e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1190: trace = 2.393047947561436 (8.38428e-07% change)
linmin: converged after 4 iterations.
iteration 1191: trace = 2.393047923667888 (9.98457e-07% change)
linmin: converged after 8 iterations.
iteration 1192: trace = 2.393047916988678 (2.79109e-07% change)
linmin: converged after 5 iterations.
iteration 1193: trace = 2.393047904038039 (5.41178e-07% change)
large trace change predicted (1.17316e-06%)
linmin: converged after 4 iterations.
iteration 1194: trace = 2.393047875963763 (1.17316e-06% change)
linmin: converged after 4 iterations.
iteration 1195: trace = 2.393047864009566 (4.99539e-07% change)
large trace change predicted (2.01139e-06%)
linmin: converged after 4 iterations.
iteration 1196: trace = 2.393047815875889 (2.0114e-06% change)
linmin: converged after 9 iterations.
iteration 1197: trace = 2.393047748350392 (2.82174e-06% change)
linmin: converged after 4 iterations.
iteration 1198: trace = 2.393047695124176 (2.2242e-06% change)
large trace change predicted (5.32856e-06%)
linmin: converged after 7 iterations.
iteration 1199: trace = 2.393047567611163 (5.32848e-06% change)
linmin: converged after 7 iterations.
iteration 1200: trace = 2.393047498561061 (2.88545e-06% change)
linmin: converged after 4 iterations.
iteration 1201: trace = 2.393047415199051 (3.48351e-06% change)
linmin: converged after 4 iterations.
iteration 1202: trace = 2.393047295272089 (5.01147e-06% change)
linmin: converged after 13 iterations.
iteration 1203: trace = 2.393047271790389 (9.81247e-07% change)
large trace change predicted (4.26972e-06%)
linmin: converged after 4 iterations.
iteration 1204: trace = 2.393047169613124 (4.26976e-06% change)
linmin: converged after 3 iterations.
iteration 1205: trace = 2.393047101037706 (2.86561e-06% change)
linmin: converged after 4 iterations.
iteration 1206: trace = 2.393047070561835 (1.27352e-06% change)
linmin: converged after 4 iterations.
iteration 1207: trace = 2.393047014100219 (2.3594e-06% change)
linmin: converged after 7 iterations.
iteration 1208: trace = 2.393046964400122 (2.07685e-06% change)
linmin: converged after 4 iterations.
iteration 1209: trace = 2.393046922481839 (1.75167e-06% change)
linmin: converged after 4 iterations.
iteration 1210: trace = 2.393046855610147 (2.79442e-06% change)
linmin: converged after 10 iterations.
iteration 1211: trace = 2.393046822384393 (1.38843e-06% change)
linmin: converged after 12 iterations.
iteration 1212: trace = 2.393046777420315 (1.87895e-06% change)
linmin: converged after 4 iterations.
iteration 1213: trace = 2.3930467559094 (8.98892e-07% change)
linmin: converged after 4 iterations.
iteration 1214: trace = 2.393046714283628 (1.73945e-06% change)
linmin: converged after 4 iterations.
iteration 1215: trace = 2.393046647159569 (2.80496e-06% change)
linmin: converged after 4 iterations.
iteration 1216: trace = 2.393046618044147 (1.21667e-06% change)
large trace change predicted (5.04378e-06%)
linmin: converged after 4 iterations.
iteration 1217: trace = 2.393046497343111 (5.04382e-06% change)
linmin: converged after 7 iterations.
iteration 1218: trace = 2.393046441524758 (2.33252e-06% change)
large trace change predicted (6.59313e-06%)
linmin: converged after 12 iterations.
iteration 1219: trace = 2.393046283746031 (6.59322e-06% change)
linmin: converged after 4 iterations.
iteration 1220: trace = 2.393046073002106 (8.80651e-06% change)
linmin: converged after 5 iterations.
iteration 1221: trace = 2.393045965161225 (4.50643e-06% change)
large trace change predicted (9.36847e-06%)
linmin: converged after 4 iterations.
iteration 1222: trace = 2.393045740967892 (9.36853e-06% change)
linmin: converged after 8 iterations.
iteration 1223: trace = 2.393045694803439 (1.92911e-06% change)
large trace change predicted (4.34704e-06%)
linmin: converged after 4 iterations.
iteration 1224: trace = 2.393045590776737 (4.34704e-06% change)
linmin: converged after 4 iterations.
iteration 1225: trace = 2.393045530747066 (2.50851e-06% change)
linmin: converged after 7 iterations.
iteration 1226: trace = 2.393045508600661 (9.25449e-07% change)
large trace change predicted (2.14741e-06%)
linmin: converged after 3 iterations.
iteration 1227: trace = 2.393045457212558 (2.14739e-06% change)
linmin: converged after 5 iterations.
iteration 1228: trace = 2.393045420472612 (1.53528e-06% change)
linmin: converged after 4 iterations.
iteration 1229: trace = 2.393045381572905 (1.62553e-06% change)
linmin: converged after 4 iterations.
iteration 1230: trace = 2.393045325525357 (2.3421e-06% change)
linmin: converged after 4 iterations.
iteration 1231: trace = 2.393045305231889 (8.48019e-07% change)
large trace change predicted (2.99011e-06%)
linmin: converged after 4 iterations.
iteration 1232: trace = 2.393045233676639 (2.99013e-06% change)
linmin: converged after 4 iterations.
iteration 1233: trace = 2.393045206440279 (1.13815e-06% change)
large trace change predicted (2.46104e-06%)
linmin: converged after 5 iterations.
iteration 1234: trace = 2.393045147546375 (2.46104e-06% change)
linmin: converged after 4 iterations.
iteration 1235: trace = 2.393045048343727 (4.14546e-06% change)
linmin: converged after 7 iterations.
iteration 1236: trace = 2.393045015027994 (1.39219e-06% change)
large trace change predicted (8.42607e-06%)
linmin: converged after 17 iterations.
iteration 1237: trace = 2.393044813384 (8.42625e-06% change)
linmin: converged after 7 iterations.
iteration 1238: trace = 2.393044734446117 (3.29864e-06% change)
large trace change predicted (1.16298e-05%)
linmin: converged after 5 iterations.
iteration 1239: trace = 2.393044456127801 (1.16303e-05% change)
linmin: converged after 5 iterations.
iteration 1240: trace = 2.393044306117916 (6.26858e-06% change)
linmin: converged after 14 iterations.
iteration 1241: trace = 2.393044184071984 (5.10003e-06% change)
linmin: converged after 4 iterations.
iteration 1242: trace = 2.393043998039914 (7.77387e-06% change)
linmin: converged after 5 iterations.
iteration 1243: trace = 2.393043955033063 (1.79716e-06% change)
linmin: converged after 4 iterations.
iteration 1244: trace = 2.393043872842907 (3.43454e-06% change)
linmin: converged after 9 iterations.
iteration 1245: trace = 2.393043841931693 (1.29171e-06% change)
linmin: converged after 6 iterations.
iteration 1246: trace = 2.393043786965595 (2.29691e-06% change)
linmin: converged after 4 iterations.
iteration 1247: trace = 2.393043757389542 (1.23592e-06% change)
linmin: converged after 4 iterations.
iteration 1248: trace = 2.393043734574912 (9.53373e-07% change)
linmin: converged after 4 iterations.
iteration 1249: trace = 2.393043710572849 (1.00299e-06% change)
linmin: converged after 4 iterations.
iteration 1250: trace = 2.393043694718971 (6.62498e-07% change)
large trace change predicted (2.86878e-06%)
linmin: converged after 5 iterations.
iteration 1251: trace = 2.393043626068016 (2.86877e-06% change)
linmin: converged after 5 iterations.
iteration 1252: trace = 2.39304358606922 (1.67146e-06% change)
large trace change predicted (5.93772e-06%)
linmin: converged after 5 iterations.
iteration 1253: trace = 2.393043443977348 (5.93771e-06% change)
linmin: converged after 4 iterations.
iteration 1254: trace = 2.393043331829206 (4.68642e-06% change)
linmin: converged after 18 iterations.
iteration 1255: trace = 2.393043156272861 (7.33611e-06% change)
linmin: converged after 4 iterations.
iteration 1256: trace = 2.393042937491655 (9.14238e-06% change)
linmin: converged after 5 iterations.
iteration 1257: trace = 2.393042835473432 (4.26312e-06% change)
linmin: converged after 4 iterations.
iteration 1258: trace = 2.393042688906305 (6.12472e-06% change)
linmin: converged after 9 iterations.
iteration 1259: trace = 2.393042580942389 (4.51158e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1260: trace = 2.393042494444168 (3.61457e-06% change)
linmin: converged after 4 iterations.
iteration 1261: trace = 2.39304237227144 (5.10533e-06% change)
linmin: converged after 4 iterations.
iteration 1262: trace = 2.393042243073924 (5.39888e-06% change)
linmin: converged after 16 iterations.
iteration 1263: trace = 2.393042128941284 (4.76935e-06% change)
linmin: converged after 2 iterations.
iteration 1264: trace = 2.393041958163209 (7.13644e-06% change)
linmin: converged after 5 iterations.
iteration 1265: trace = 2.393041922584542 (1.48675e-06% change)
large trace change predicted (3.82482e-06%)
linmin: converged after 4 iterations.
iteration 1266: trace = 2.393041831054881 (3.82482e-06% change)
linmin: converged after 6 iterations.
iteration 1267: trace = 2.393041791783825 (1.64105e-06% change)
linmin: converged after 5 iterations.
iteration 1268: trace = 2.393041778601877 (5.50845e-07% change)
linmin: converged after 18 iterations.
iteration 1269: trace = 2.393041760731506 (7.46764e-07% change)
linmin: converged after 10 iterations.
iteration 1270: trace = 2.393041742172457 (7.75542e-07% change)
linmin: converged after 4 iterations.
iteration 1271: trace = 2.393041734290477 (3.29371e-07% change)
large trace change predicted (1.24361e-06%)
linmin: converged after 4 iterations.
iteration 1272: trace = 2.393041704530217 (1.24362e-06% change)
linmin: converged after 6 iterations.
iteration 1273: trace = 2.39304169177772 (5.32899e-07% change)
large trace change predicted (1.25106e-06%)
linmin: converged after 4 iterations.
iteration 1274: trace = 2.393041661839282 (1.25106e-06% change)
linmin: converged after 4 iterations.
iteration 1275: trace = 2.393041609769208 (2.1759e-06% change)
linmin: converged after 5 iterations.
iteration 1276: trace = 2.393041577259654 (1.3585e-06% change)
large trace change predicted (3.94594e-06%)
linmin: converged after 4 iterations.
iteration 1277: trace = 2.393041482832614 (3.9459e-06% change)
linmin: converged after 12 iterations.
iteration 1278: trace = 2.393041396969246 (3.58804e-06% change)
linmin: converged after 10 iterations.
iteration 1279: trace = 2.393041337007489 (2.50567e-06% change)
linmin: converged after 4 iterations.
iteration 1280: trace = 2.393041261513101 (3.15475e-06% change)
linmin: converged after 4 iterations.
iteration 1281: trace = 2.393041240384274 (8.82928e-07% change)
linmin: converged after 5 iterations.
iteration 1282: trace = 2.393041211258452 (1.2171e-06% change)
linmin: converged after 4 iterations.
iteration 1283: trace = 2.393041183268687 (1.16963e-06% change)
linmin: converged after 4 iterations.
iteration 1284: trace = 2.393041174510145 (3.66e-07% change)
large trace change predicted (9.83093e-07%)
linmin: converged after 4 iterations.
iteration 1285: trace = 2.393041150984479 (9.83087e-07% change)
linmin: converged after 4 iterations.
iteration 1286: trace = 2.393041146117166 (2.03394e-07% change)
large trace change predicted (7.89198e-07%)
linmin: converged after 4 iterations.
iteration 1287: trace = 2.393041127231414 (7.89195e-07% change)
linmin: converged after 5 iterations.
iteration 1288: trace = 2.393041118407331 (3.68739e-07% change)
linmin: converged after 9 iterations.
iteration 1289: trace = 2.393041107212448 (4.6781e-07% change)
linmin: converged after 12 iterations.
iteration 1290: trace = 2.393041092008245 (6.35351e-07% change)
linmin: converged after 4 iterations.
iteration 1291: trace = 2.393041086023486 (2.5009e-07% change)
large trace change predicted (7.32309e-07%)
linmin: converged after 4 iterations.
iteration 1292: trace = 2.393041068498797 (7.32319e-07% change)
linmin: converged after 4 iterations.
iteration 1293: trace = 2.393041055230614 (5.54449e-07% change)
linmin: converged after 4 iterations.
iteration 1294: trace = 2.393041037293166 (7.49567e-07% change)
large trace change predicted (1.5871e-06%)
linmin: converged after 8 iterations.
iteration 1295: trace = 2.393040999313733 (1.58708e-06% change)
linmin: converged after 4 iterations.
iteration 1296: trace = 2.393040977636887 (9.05828e-07% change)
large trace change predicted (1.98654e-06%)
linmin: converged after 6 iterations.
iteration 1297: trace = 2.393040930097839 (1.98655e-06% change)
linmin: converged after 10 iterations.
iteration 1298: trace = 2.39304089024491 (1.66537e-06% change)
linmin: converged after 6 iterations.
iteration 1299: trace = 2.39304087043698 (8.27731e-07% change)
large trace change predicted (1.75246e-06%)
linmin: converged after 4 iterations.
iteration 1300: trace = 2.39304082850022 (1.75245e-06% change)
linmin: converged after 4 iterations.
iteration 1301: trace = 2.393040823596781 (2.04904e-07% change)
large trace change predicted (7.02836e-07%)
linmin: converged after 4 iterations.
iteration 1302: trace = 2.393040806777944 (7.02823e-07% change)
linmin: converged after 4 iterations.
iteration 1303: trace = 2.393040799199992 (3.16666e-07% change)
linmin: converged after 5 iterations.
iteration 1304: trace = 2.393040793588882 (2.34476e-07% change)
linmin: converged after 6 iterations.
iteration 1305: trace = 2.393040785610138 (3.33414e-07% change)
linmin: converged after 3 iterations.
iteration 1306: trace = 2.393040781529431 (1.70524e-07% change)
large trace change predicted (5.7901e-07%)
linmin: converged after 4 iterations.
iteration 1307: trace = 2.393040767673701 (5.79001e-07% change)
linmin: converged after 4 iterations.
iteration 1308: trace = 2.393040764117479 (1.48607e-07% change)
large trace change predicted (4.67503e-07%)
linmin: converged after 5 iterations.
iteration 1309: trace = 2.393040752930362 (4.67485e-07% change)
linmin: converged after 17 iterations.
iteration 1310: trace = 2.393040744338404 (3.59039e-07% change)
linmin: converged after 5 iterations.
iteration 1311: trace = 2.393040738644882 (2.3792e-07% change)
large trace change predicted (5.43118e-07%)
linmin: converged after 4 iterations.
iteration 1312: trace = 2.39304072564791 (5.43115e-07% change)
linmin: converged after 4 iterations.
iteration 1313: trace = 2.393040720932457 (1.97049e-07% change)
large trace change predicted (6.63301e-07%)
linmin: converged after 9 iterations.
iteration 1314: trace = 2.393040705059309 (6.63305e-07% change)
linmin: converged after 4 iterations.
iteration 1315: trace = 2.393040700724848 (1.81128e-07% change)
large trace change predicted (6.34246e-07%)
linmin: converged after 7 iterations.
iteration 1316: trace = 2.393040685546813 (6.34257e-07% change)
linmin: converged after 4 iterations.
iteration 1317: trace = 2.393040675332705 (4.26825e-07% change)
linmin: converged after 4 iterations.
iteration 1318: trace = 2.39304066151545 (5.77393e-07% change)
linmin: converged after 5 iterations.
iteration 1319: trace = 2.393040642637224 (7.8888e-07% change)
linmin: converged after 4 iterations.
iteration 1320: trace = 2.393040635856141 (2.83367e-07% change)
large trace change predicted (6.73284e-07%)
linmin: converged after 4 iterations.
iteration 1321: trace = 2.39304061974444 (6.73273e-07% change)
linmin: converged after 5 iterations.
iteration 1322: trace = 2.393040614532548 (2.17794e-07% change)
linmin: converged after 4 iterations.
iteration 1323: trace = 2.393040609337865 (2.17075e-07% change)
linmin: converged after 4 iterations.
iteration 1324: trace = 2.39304060472102 (1.92928e-07% change)
linmin: converged after 4 iterations.
iteration 1325: trace = 2.393040603294851 (5.95965e-08% change)
linmin: converged after 4 iterations.
iteration 1326: trace = 2.393040601248568 (8.55098e-08% change)
linmin: converged after 4 iterations.
iteration 1327: trace = 2.39304059953517 (7.15992e-08% change)
linmin: converged after 15 iterations.
iteration 1328: trace = 2.393040597550162 (8.29492e-08% change)
large trace change predicted (4.12466e-07%)
linmin: converged after 4 iterations.
iteration 1329: trace = 2.393040587679593 (4.1247e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1330: trace = 2.393040580465429 (3.01464e-07% change)
linmin: converged after 14 iterations.
iteration 1331: trace = 2.393040577823084 (1.10418e-07% change)
linmin: converged after 14 iterations.
iteration 1332: trace = 2.393040576387055 (6.00086e-08% change)
linmin: converged after 4 iterations.
iteration 1333: trace = 2.393040574178111 (9.2307e-08% change)
linmin: converged after 8 iterations.
iteration 1334: trace = 2.393040571499711 (1.11925e-07% change)
linmin: converged after 4 iterations.
iteration 1335: trace = 2.393040569596532 (7.95297e-08% change)
large trace change predicted (2.07021e-07%)
linmin: converged after 9 iterations.
iteration 1336: trace = 2.393040564642132 (2.07034e-07% change)
linmin: converged after 5 iterations.
iteration 1337: trace = 2.393040562209758 (1.01644e-07% change)
large trace change predicted (3.27307e-07%)
linmin: converged after 5 iterations.
iteration 1338: trace = 2.393040554376739 (3.27325e-07% change)
linmin: converged after 6 iterations.
iteration 1339: trace = 2.39304054180474 (5.25357e-07% change)
linmin: converged after 5 iterations.
iteration 1340: trace = 2.393040536268622 (2.31342e-07% change)
large trace change predicted (8.41378e-07%)
linmin: converged after 6 iterations.
iteration 1341: trace = 2.393040516134218 (8.41373e-07% change)
linmin: converged after 4 iterations.
iteration 1342: trace = 2.393040509658384 (2.70611e-07% change)
large trace change predicted (6.27711e-07%)
linmin: converged after 5 iterations.
iteration 1343: trace = 2.393040494636819 (6.27719e-07% change)
linmin: converged after 4 iterations.
iteration 1344: trace = 2.393040483906091 (4.48414e-07% change)
linmin: converged after 4 iterations.
iteration 1345: trace = 2.393040478143857 (2.40791e-07% change)
linmin: converged after 4 iterations.
iteration 1346: trace = 2.393040468039669 (4.22232e-07% change)
linmin: converged after 4 iterations.
iteration 1347: trace = 2.39304046164321 (2.67294e-07% change)
linmin: converged after 4 iterations.
iteration 1348: trace = 2.393040455019982 (2.7677e-07% change)
linmin: converged after 4 iterations.
iteration 1349: trace = 2.393040446387974 (3.60713e-07% change)
linmin: converged after 4 iterations.
iteration 1350: trace = 2.39304044186389 (1.89052e-07% change)
linmin: converged after 6 iterations.
iteration 1351: trace = 2.393040433127564 (3.65072e-07% change)
linmin: converged after 4 iterations.
iteration 1352: trace = 2.393040430405385 (1.13754e-07% change)
large trace change predicted (2.37904e-07%)
linmin: converged after 2 iterations.
iteration 1353: trace = 2.39304042471267 (2.37886e-07% change)
linmin: converged after 4 iterations.
iteration 1354: trace = 2.393040418036548 (2.78981e-07% change)
linmin: converged after 4 iterations.
iteration 1355: trace = 2.393040414749368 (1.37364e-07% change)
large trace change predicted (3.46598e-07%)
linmin: converged after 4 iterations.
iteration 1356: trace = 2.393040406455357 (3.46589e-07% change)
linmin: converged after 4 iterations.
iteration 1357: trace = 2.393040402297147 (1.73763e-07% change)
large trace change predicted (4.16905e-07%)
linmin: converged after 4 iterations.
iteration 1358: trace = 2.393040392320467 (4.16904e-07% change)
linmin: converged after 4 iterations.
iteration 1359: trace = 2.393040386980613 (2.23141e-07% change)
large trace change predicted (7.85649e-07%)
linmin: converged after 5 iterations.
iteration 1360: trace = 2.393040368179305 (7.85666e-07% change)
linmin: converged after 4 iterations.
iteration 1361: trace = 2.393040352236456 (6.66217e-07% change)
linmin: converged after 13 iterations.
iteration 1362: trace = 2.393040327731612 (1.024e-06% change)
linmin: converged after 4 iterations.
iteration 1363: trace = 2.393040306640131 (8.81368e-07% change)
linmin: converged after 4 iterations.
iteration 1364: trace = 2.393040292668296 (5.83853e-07% change)
linmin: converged after 9 iterations.
iteration 1365: trace = 2.393040273055593 (8.19573e-07% change)
linmin: converged after 4 iterations.
iteration 1366: trace = 2.39304026730585 (2.40269e-07% change)
linmin: converged after 4 iterations.
iteration 1367: trace = 2.393040258702672 (3.59508e-07% change)
linmin: converged after 3 iterations.
iteration 1368: trace = 2.393040254815388 (1.62441e-07% change)
large trace change predicted (3.27987e-07%)
linmin: converged after 4 iterations.
iteration 1369: trace = 2.393040246966732 (3.27978e-07% change)
linmin: converged after 12 iterations.
iteration 1370: trace = 2.393040243101726 (1.6151e-07% change)
linmin: converged after 4 iterations.
iteration 1371: trace = 2.393040235708201 (3.0896e-07% change)
linmin: converged after 11 iterations.
iteration 1372: trace = 2.393040230937914 (1.9934e-07% change)
linmin: converged after 4 iterations.
iteration 1373: trace = 2.393040224500106 (2.69022e-07% change)
linmin: converged after 14 iterations.
iteration 1374: trace = 2.393040220421217 (1.70448e-07% change)
linmin: converged after 4 iterations.
iteration 1375: trace = 2.393040215926551 (1.87822e-07% change)
linmin: converged after 4 iterations.
iteration 1376: trace = 2.393040210289981 (2.3554e-07% change)
linmin: converged after 3 iterations.
iteration 1377: trace = 2.393040207044586 (1.35618e-07% change)
large trace change predicted (3.54976e-07%)
linmin: converged after 4 iterations.
iteration 1378: trace = 2.393040198549409 (3.54995e-07% change)
linmin: converged after 5 iterations.
iteration 1379: trace = 2.393040191185979 (3.07702e-07% change)
linmin: converged after 10 iterations.
iteration 1380: trace = 2.393040180878069 (4.30745e-07% change)
linmin: converged after 4 iterations.
iteration 1381: trace = 2.393040166052206 (6.19541e-07% change)
linmin: converged after 5 iterations.
iteration 1382: trace = 2.393040151916325 (5.90708e-07% change)
linmin: converged after 4 iterations.
iteration 1383: trace = 2.393040131334559 (8.60068e-07% change)
linmin: converged after 4 iterations.
iteration 1384: trace = 2.393040102936467 (1.1867e-06% change)
linmin: converged after 4 iterations.
iteration 1385: trace = 2.393040086361743 (6.92622e-07% change)
linmin: converged after 4 iterations.
iteration 1386: trace = 2.393040060741587 (1.07061e-06% change)
linmin: converged after 12 iterations.
iteration 1387: trace = 2.393040044306737 (6.86777e-07% change)
linmin: converged after 4 iterations.
iteration 1388: trace = 2.393040035905734 (3.5106e-07% change)
linmin: converged after 4 iterations.
iteration 1389: trace = 2.393040029733259 (2.57934e-07% change)
linmin: converged after 4 iterations.
iteration 1390: trace = 2.393040024374545 (2.23929e-07% change)
linmin: converged after 5 iterations.
iteration 1391: trace = 2.393040019852315 (1.88974e-07% change)
linmin: converged after 8 iterations.
iteration 1392: trace = 2.393040015705451 (1.73289e-07% change)
linmin: converged after 8 iterations.
iteration 1393: trace = 2.393040013171896 (1.05872e-07% change)
linmin: converged after 4 iterations.
iteration 1394: trace = 2.393040009440699 (1.55919e-07% change)
linmin: converged after 5 iterations.
iteration 1395: trace = 2.393040007625822 (7.58398e-08% change)
large trace change predicted (3.22288e-07%)
linmin: converged after 4 iterations.
iteration 1396: trace = 2.393039999913313 (3.22289e-07% change)
linmin: converged after 5 iterations.
iteration 1397: trace = 2.393039995345873 (1.90864e-07% change)
large trace change predicted (5.44068e-07%)
linmin: converged after 4 iterations.
iteration 1398: trace = 2.39303998232581 (5.4408e-07% change)
linmin: converged after 4 iterations.
iteration 1399: trace = 2.393039973329971 (3.75917e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1400: trace = 2.393039966046413 (3.04364e-07% change)
linmin: converged after 4 iterations.
iteration 1401: trace = 2.393039959739344 (2.63559e-07% change)
linmin: converged after 4 iterations.
iteration 1402: trace = 2.393039951297119 (3.52782e-07% change)
linmin: converged after 12 iterations.
iteration 1403: trace = 2.39303994944239 (7.75052e-08% change)
large trace change predicted (1.97152e-07%)
linmin: converged after 5 iterations.
iteration 1404: trace = 2.393039944724751 (1.9714e-07% change)
linmin: converged after 11 iterations.
iteration 1405: trace = 2.393039941961282 (1.15479e-07% change)
large trace change predicted (2.69752e-07%)
linmin: converged after 4 iterations.
iteration 1406: trace = 2.393039935505679 (2.69766e-07% change)
linmin: converged after 4 iterations.
iteration 1407: trace = 2.393039928260118 (3.02776e-07% change)
linmin: converged after 4 iterations.
iteration 1408: trace = 2.393039924873118 (1.41535e-07% change)
large trace change predicted (3.03458e-07%)
linmin: converged after 5 iterations.
iteration 1409: trace = 2.393039917611174 (3.03461e-07% change)
linmin: converged after 4 iterations.
iteration 1410: trace = 2.393039907854973 (4.07691e-07% change)
linmin: converged after 4 iterations.
iteration 1411: trace = 2.393039901783208 (2.53726e-07% change)
linmin: converged after 4 iterations.
iteration 1412: trace = 2.39303989149737 (4.29823e-07% change)
linmin: converged after 4 iterations.
iteration 1413: trace = 2.393039885759657 (2.39767e-07% change)
linmin: converged after 4 iterations.
iteration 1414: trace = 2.393039877549211 (3.43097e-07% change)
linmin: converged after 6 iterations.
iteration 1415: trace = 2.393039862599887 (6.247e-07% change)
linmin: converged after 4 iterations.
iteration 1416: trace = 2.393039855733734 (2.86922e-07% change)
large trace change predicted (7.28544e-07%)
linmin: converged after 4 iterations.
iteration 1417: trace = 2.393039838299295 (7.28548e-07% change)
linmin: converged after 4 iterations.
iteration 1418: trace = 2.393039825994102 (5.14208e-07% change)
linmin: converged after 4 iterations.
iteration 1419: trace = 2.393039817924723 (3.37202e-07% change)
linmin: converged after 17 iterations.
iteration 1420: trace = 2.393039808595072 (3.89866e-07% change)
linmin: converged after 4 iterations.
iteration 1421: trace = 2.393039805693648 (1.21244e-07% change)
linmin: converged after 4 iterations.
iteration 1422: trace = 2.393039802246433 (1.44052e-07% change)
linmin: converged after 4 iterations.
iteration 1423: trace = 2.39303979895529 (1.3753e-07% change)
linmin: converged after 11 iterations.
iteration 1424: trace = 2.393039798255055 (2.92613e-08% change)
large trace change predicted (1.17993e-07%)
linmin: converged after 3 iterations.
iteration 1425: trace = 2.393039795431879 (1.17974e-07% change)
linmin: converged after 3 iterations.
iteration 1426: trace = 2.393039794552078 (3.6765e-08% change)
large trace change predicted (1.13789e-07%)
linmin: converged after 4 iterations.
iteration 1427: trace = 2.393039791828929 (1.13795e-07% change)
linmin: converged after 12 iterations.
iteration 1428: trace = 2.393039788130563 (1.54547e-07% change)
linmin: converged after 7 iterations.
iteration 1429: trace = 2.393039785570439 (1.06982e-07% change)
large trace change predicted (3.96916e-07%)
linmin: converged after 4 iterations.
iteration 1430: trace = 2.393039776071572 (3.96937e-07% change)
linmin: converged after 4 iterations.
iteration 1431: trace = 2.393039766972256 (3.80241e-07% change)
linmin: converged after 3 iterations.
iteration 1432: trace = 2.393039760834495 (2.56484e-07% change)
linmin: converged after 4 iterations.
iteration 1433: trace = 2.393039751063575 (4.08306e-07% change)
linmin: converged after 5 iterations.
iteration 1434: trace = 2.393039748442839 (1.09515e-07% change)
linmin: converged after 4 iterations.
iteration 1435: trace = 2.393039744679854 (1.57247e-07% change)
linmin: converged after 4 iterations.
iteration 1436: trace = 2.393039739195992 (2.29159e-07% change)
linmin: converged after 5 iterations.
iteration 1437: trace = 2.393039737673612 (6.3617e-08% change)
large trace change predicted (1.63285e-07%)
linmin: converged after 3 iterations.
iteration 1438: trace = 2.393039733765839 (1.63297e-07% change)
linmin: converged after 4 iterations.
iteration 1439: trace = 2.393039730832399 (1.22582e-07% change)
linmin: converged after 4 iterations.
iteration 1440: trace = 2.39303972807751 (1.15121e-07% change)
linmin: converged after 4 iterations.
iteration 1441: trace = 2.393039726446243 (6.81672e-08% change)
linmin: converged after 3 iterations.
iteration 1442: trace = 2.393039725614436 (3.47594e-08% change)
linmin: converged after 3 iterations.
iteration 1443: trace = 2.393039723965023 (6.89254e-08% change)
linmin: converged after 4 iterations.
iteration 1444: trace = 2.393039723039279 (3.86849e-08% change)
linmin: converged after 19 iterations.
iteration 1445: trace = 2.393039721569313 (6.14267e-08% change)
linmin: converged after 4 iterations.
iteration 1446: trace = 2.393039719204475 (9.88215e-08% change)
linmin: converged after 18 iterations.
iteration 1447: trace = 2.393039717647883 (6.50466e-08% change)
large trace change predicted (1.47227e-07%)
linmin: converged after 7 iterations.
iteration 1448: trace = 2.393039714124905 (1.47218e-07% change)
linmin: converged after 5 iterations.
iteration 1449: trace = 2.393039712100749 (8.45852e-08% change)
linmin: converged after 14 iterations.
iteration 1450: trace = 2.393039708097894 (1.67271e-07% change)
linmin: converged after 5 iterations.
iteration 1451: trace = 2.393039705040056 (1.2778e-07% change)
linmin: converged after 17 iterations.
iteration 1452: trace = 2.393039701713394 (1.39014e-07% change)
linmin: converged after 4 iterations.
iteration 1453: trace = 2.393039698511534 (1.33799e-07% change)
linmin: converged after 4 iterations.
iteration 1454: trace = 2.393039696323006 (9.14539e-08% change)
linmin: converged after 5 iterations.
iteration 1455: trace = 2.393039694318851 (8.37493e-08% change)
linmin: converged after 7 iterations.
iteration 1456: trace = 2.393039693207895 (4.64245e-08% change)
linmin: converged after 3 iterations.
iteration 1457: trace = 2.393039692001463 (5.04142e-08% change)
linmin: converged after 13 iterations.
iteration 1458: trace = 2.3930396914881 (2.14523e-08% change)
large trace change predicted (5.20299e-08%)
linmin: converged after 4 iterations.
iteration 1459: trace = 2.393039690243272 (5.20187e-08% change)
linmin: converged after 7 iterations.
iteration 1460: trace = 2.393039689909187 (1.39607e-08% change)
large trace change predicted (4.96809e-08%)
linmin: converged after 5 iterations.
iteration 1461: trace = 2.393039688720449 (4.96749e-08% change)
linmin: converged after 5 iterations.
iteration 1462: trace = 2.393039688437892 (1.18074e-08% change)
large trace change predicted (3.87266e-08%)
linmin: converged after 9 iterations.
iteration 1463: trace = 2.39303968751105 (3.87307e-08% change)
linmin: converged after 5 iterations.
iteration 1464: trace = 2.393039687181636 (1.37655e-08% change)
large trace change predicted (5.81374e-08%)
linmin: converged after 4 iterations.
iteration 1465: trace = 2.393039685790283 (5.81416e-08% change)
linmin: converged after 4 iterations.
iteration 1466: trace = 2.393039684776068 (4.23819e-08% change)
linmin: converged after 4 iterations.
iteration 1467: trace = 2.393039683264678 (6.31578e-08% change)
linmin: converged after 15 iterations.
iteration 1468: trace = 2.393039682871513 (1.64295e-08% change)
large trace change predicted (7.14962e-08%)
linmin: converged after 4 iterations.
iteration 1469: trace = 2.393039681160638 (7.14938e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1470: trace = 2.393039680166377 (4.1548e-08% change)
linmin: converged after 4 iterations.
iteration 1471: trace = 2.393039679550376 (2.57414e-08% change)
linmin: converged after 4 iterations.
iteration 1472: trace = 2.393039678583452 (4.04057e-08% change)
linmin: converged after 4 iterations.
iteration 1473: trace = 2.393039677720533 (3.60596e-08% change)
linmin: converged after 7 iterations.
iteration 1474: trace = 2.393039676021905 (7.0982e-08% change)
linmin: converged after 4 iterations.
iteration 1475: trace = 2.393039674815157 (5.04274e-08% change)
linmin: converged after 12 iterations.
iteration 1476: trace = 2.393039674327643 (2.03722e-08% change)
linmin: converged after 4 iterations.
iteration 1477: trace = 2.393039673442761 (3.69773e-08% change)
linmin: converged after 5 iterations.
iteration 1478: trace = 2.393039673065327 (1.57722e-08% change)
large trace change predicted (4.16376e-08%)
linmin: converged after 5 iterations.
iteration 1479: trace = 2.393039672069202 (4.16259e-08% change)
linmin: converged after 15 iterations.
iteration 1480: trace = 2.393039671024631 (4.36504e-08% change)
linmin: converged after 4 iterations.
iteration 1481: trace = 2.393039670556782 (1.95504e-08% change)
large trace change predicted (7.13355e-08%)
linmin: converged after 4 iterations.
iteration 1482: trace = 2.393039668849255 (7.13539e-08% change)
linmin: converged after 4 iterations.
iteration 1483: trace = 2.39303966816326 (2.86663e-08% change)
large trace change predicted (1.1222e-07%)
linmin: converged after 7 iterations.
iteration 1484: trace = 2.393039665477931 (1.12214e-07% change)
linmin: converged after 4 iterations.
iteration 1485: trace = 2.393039663357443 (8.86107e-08% change)
linmin: converged after 4 iterations.
iteration 1486: trace = 2.393039660253508 (1.29707e-07% change)
linmin: converged after 4 iterations.
iteration 1487: trace = 2.393039656745905 (1.46575e-07% change)
linmin: converged after 4 iterations.
iteration 1488: trace = 2.393039655535391 (5.05848e-08% change)
large trace change predicted (1.63161e-07%)
linmin: converged after 4 iterations.
iteration 1489: trace = 2.393039651630815 (1.63164e-07% change)
linmin: converged after 5 iterations.
iteration 1490: trace = 2.393039650422425 (5.0496e-08% change)
linmin: converged after 4 iterations.
iteration 1491: trace = 2.39303964816717 (9.42423e-08% change)
linmin: converged after 3 iterations.
iteration 1492: trace = 2.393039647215166 (3.97822e-08% change)
linmin: converged after 4 iterations.
iteration 1493: trace = 2.393039646510904 (2.94296e-08% change)
linmin: converged after 5 iterations.
iteration 1494: trace = 2.393039645285069 (5.1225e-08% change)
linmin: converged after 12 iterations.
iteration 1495: trace = 2.393039644921993 (1.51722e-08% change)
large trace change predicted (6.48959e-08%)
linmin: converged after 6 iterations.
iteration 1496: trace = 2.393039643368809 (6.49042e-08% change)
linmin: converged after 6 iterations.
iteration 1497: trace = 2.393039642777997 (2.46887e-08% change)
large trace change predicted (6.67852e-08%)
linmin: converged after 14 iterations.
iteration 1498: trace = 2.393039641180009 (6.67765e-08% change)
linmin: converged after 4 iterations.
iteration 1499: trace = 2.393039639338971 (7.6933e-08% change)
linmin: converged after 7 iterations.
iteration 1500: trace = 2.393039638168414 (4.89151e-08% change)
large trace change predicted (1.15279e-07%)
linmin: converged after 4 iterations.
iteration 1501: trace = 2.393039635409903 (1.15272e-07% change)
linmin: converged after 22 iterations.
iteration 1502: trace = 2.393039634096779 (5.48726e-08% change)
linmin: converged after 4 iterations.
iteration 1503: trace = 2.39303963164951 (1.02266e-07% change)
linmin: converged after 4 iterations.
iteration 1504: trace = 2.393039628167269 (1.45515e-07% change)
linmin: converged after 4 iterations.
iteration 1505: trace = 2.393039625680733 (1.03907e-07% change)
linmin: converged after 4 iterations.
iteration 1506: trace = 2.393039621200853 (1.87205e-07% change)
linmin: converged after 4 iterations.
iteration 1507: trace = 2.393039618457916 (1.14621e-07% change)
linmin: converged after 4 iterations.
iteration 1508: trace = 2.393039613353535 (2.13301e-07% change)
linmin: converged after 5 iterations.
iteration 1509: trace = 2.393039610233413 (1.30383e-07% change)
linmin: converged after 6 iterations.
iteration 1510: trace = 2.39303960787677 (9.84791e-08% change)
linmin: converged after 3 iterations.
iteration 1511: trace = 2.393039606170299 (7.13098e-08% change)
linmin: converged after 4 iterations.
iteration 1512: trace = 2.39303960506194 (4.6316e-08% change)
linmin: converged after 3 iterations.
iteration 1513: trace = 2.393039604076756 (4.11687e-08% change)
linmin: converged after 15 iterations.
iteration 1514: trace = 2.393039603610784 (1.94719e-08% change)
large trace change predicted (4.11258e-08%)
linmin: converged after 6 iterations.
iteration 1515: trace = 2.393039602626793 (4.11189e-08% change)
linmin: converged after 4 iterations.
iteration 1516: trace = 2.393039601960144 (2.78578e-08% change)
linmin: converged after 10 iterations.
iteration 1517: trace = 2.393039600735031 (5.11949e-08% change)
linmin: converged after 15 iterations.
iteration 1518: trace = 2.393039598961888 (7.40958e-08% change)
linmin: converged after 4 iterations.
iteration 1519: trace = 2.393039597182844 (7.43424e-08% change)
linmin: converged after 4 iterations.
iteration 1520: trace = 2.393039594250012 (1.22557e-07% change)
linmin: converged after 4 iterations.
iteration 1521: trace = 2.393039592350489 (7.9377e-08% change)
large trace change predicted (2.98063e-07%)
linmin: converged after 4 iterations.
iteration 1522: trace = 2.393039585217721 (2.98063e-07% change)
linmin: converged after 4 iterations.
iteration 1523: trace = 2.39303958290277 (9.67369e-08% change)
large trace change predicted (2.63499e-07%)
linmin: converged after 4 iterations.
iteration 1524: trace = 2.393039576596954 (2.63507e-07% change)
linmin: converged after 10 iterations.
iteration 1525: trace = 2.393039573924609 (1.11672e-07% change)
linmin: converged after 5 iterations.
iteration 1526: trace = 2.393039571534072 (9.98954e-08% change)
linmin: converged after 4 iterations.
iteration 1527: trace = 2.393039568020138 (1.4684e-07% change)
linmin: converged after 4 iterations.
iteration 1528: trace = 2.393039566869273 (4.80922e-08% change)
large trace change predicted (1.29764e-07%)
linmin: converged after 5 iterations.
iteration 1529: trace = 2.393039563763715 (1.29775e-07% change)
linmin: converged after 15 iterations.
iteration 1530: trace = 2.393039562685905 (4.50394e-08% change)
large trace change predicted (1.04735e-07%)
linmin: converged after 4 iterations.
iteration 1531: trace = 2.393039560179912 (1.0472e-07% change)
linmin: converged after 22 iterations.
iteration 1532: trace = 2.393039559216768 (4.02477e-08% change)
large trace change predicted (9.04954e-08%)
linmin: converged after 8 iterations.
iteration 1533: trace = 2.393039557051122 (9.04977e-08% change)
linmin: converged after 15 iterations.
iteration 1534: trace = 2.393039555727502 (5.53112e-08% change)
linmin: converged after 4 iterations.
iteration 1535: trace = 2.393039555042599 (2.86206e-08% change)
large trace change predicted (6.66918e-08%)
linmin: converged after 5 iterations.
iteration 1536: trace = 2.393039553446658 (6.6691e-08% change)
linmin: converged after 4 iterations.
iteration 1537: trace = 2.393039552997829 (1.87556e-08% change)
large trace change predicted (4.05058e-08%)
linmin: converged after 15 iterations.
iteration 1538: trace = 2.393039552028569 (4.05033e-08% change)
linmin: converged after 3 iterations.
iteration 1539: trace = 2.393039551435999 (2.47623e-08% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 1540: trace = 2.393039551045645 (1.6312e-08% change)
linmin: converged after 4 iterations.
iteration 1541: trace = 2.393039550378476 (2.78796e-08% change)
linmin: converged after 4 iterations.
iteration 1542: trace = 2.393039549516678 (3.60127e-08% change)
linmin: converged after 5 iterations.
iteration 1543: trace = 2.393039548997058 (2.17138e-08% change)
large trace change predicted (7.18249e-08%)
linmin: converged after 4 iterations.
iteration 1544: trace = 2.393039547278004 (7.18356e-08% change)
linmin: converged after 9 iterations.
iteration 1545: trace = 2.393039546349622 (3.87951e-08% change)
linmin: converged after 4 iterations.
iteration 1546: trace = 2.393039544672926 (7.00655e-08% change)
linmin: converged after 4 iterations.
iteration 1547: trace = 2.393039543099079 (6.57677e-08% change)
linmin: converged after 4 iterations.
iteration 1548: trace = 2.393039542073008 (4.28773e-08% change)
large trace change predicted (9.84477e-08%)
linmin: converged after 5 iterations.
iteration 1549: trace = 2.39303953971701 (9.84521e-08% change)
linmin: converged after 4 iterations.
iteration 1550: trace = 2.39303953811054 (6.71309e-08% change)
linmin: converged after 10 iterations.
iteration 1551: trace = 2.39303953611149 (8.3536e-08% change)
linmin: converged after 4 iterations.
iteration 1552: trace = 2.393039533750612 (9.86561e-08% change)
linmin: converged after 5 iterations.
iteration 1553: trace = 2.393039532245778 (6.28838e-08% change)
large trace change predicted (1.54698e-07%)
linmin: converged after 4 iterations.
iteration 1554: trace = 2.393039528544007 (1.54689e-07% change)
linmin: converged after 3 iterations.
iteration 1555: trace = 2.393039526941381 (6.69703e-08% change)
linmin: converged after 3 iterations.
iteration 1556: trace = 2.393039523805046 (1.31061e-07% change)
linmin: converged after 5 iterations.
iteration 1557: trace = 2.393039521291419 (1.05039e-07% change)
linmin: converged after 6 iterations.
iteration 1558: trace = 2.393039520186697 (4.6164e-08% change)
linmin: converged after 3 iterations.
iteration 1559: trace = 2.393039518274729 (7.98971e-08% change)
linmin: converged after 6 iterations.
iteration 1560: trace = 2.393039517758407 (2.1576e-08% change)
large trace change predicted (4.57378e-08%)
linmin: converged after 7 iterations.
iteration 1561: trace = 2.393039516663837 (4.57397e-08% change)
linmin: converged after 12 iterations.
iteration 1562: trace = 2.393039516187216 (1.9917e-08% change)
linmin: converged after 4 iterations.
iteration 1563: trace = 2.393039515981591 (8.59262e-09% change)
large trace change predicted (2.97848e-08%)
linmin: converged after 3 iterations.
iteration 1564: trace = 2.393039515268685 (2.97908e-08% change)
linmin: converged after 7 iterations.
iteration 1565: trace = 2.39303951479569 (1.97654e-08% change)
linmin: converged after 3 iterations.
iteration 1566: trace = 2.3930395140593 (3.07722e-08% change)
linmin: converged after 3 iterations.
iteration 1567: trace = 2.393039513181621 (3.66763e-08% change)
linmin: converged after 11 iterations.
iteration 1568: trace = 2.393039512646754 (2.23509e-08% change)
large trace change predicted (4.88222e-08%)
linmin: converged after 5 iterations.
iteration 1569: trace = 2.393039511478558 (4.88164e-08% change)
linmin: converged after 4 iterations.
iteration 1570: trace = 2.393039509732215 (7.29759e-08% change)
linmin: converged after 4 iterations.
iteration 1571: trace = 2.393039509176642 (2.32162e-08% change)
large trace change predicted (7.76329e-08%)
linmin: converged after 4 iterations.
iteration 1572: trace = 2.39303950731891 (7.76306e-08% change)
linmin: converged after 5 iterations.
iteration 1573: trace = 2.393039506243734 (4.49293e-08% change)
linmin: converged after 5 iterations.
iteration 1574: trace = 2.393039505347019 (3.74718e-08% change)
linmin: converged after 8 iterations.
iteration 1575: trace = 2.393039503784988 (6.52739e-08% change)
linmin: converged after 6 iterations.
iteration 1576: trace = 2.393039502734971 (4.3878e-08% change)
linmin: converged after 3 iterations.
iteration 1577: trace = 2.393039501388015 (5.62864e-08% change)
linmin: converged after 4 iterations.
iteration 1578: trace = 2.393039500304252 (4.52882e-08% change)
linmin: converged after 4 iterations.
iteration 1579: trace = 2.393039500081274 (9.31778e-09% change)
large trace change predicted (2.11524e-08%)
linmin: converged after 4 iterations.
iteration 1580: trace = 2.393039499575118 (2.11512e-08% change)
linmin: converged after 3 iterations.
iteration 1581: trace = 2.393039499291119 (1.18677e-08% change)
linmin: converged after 4 iterations.
iteration 1582: trace = 2.393039499169742 (5.07205e-09% change)
large trace change predicted (1.38671e-08%)
linmin: converged after 3 iterations.
iteration 1583: trace = 2.393039498838404 (1.38459e-08% change)
linmin: converged after 5 iterations.
iteration 1584: trace = 2.393039498665226 (7.23675e-09% change)
large trace change predicted (2.0901e-08%)
linmin: converged after 8 iterations.
iteration 1585: trace = 2.393039498164887 (2.09081e-08% change)
linmin: converged after 15 iterations.
iteration 1586: trace = 2.393039497398028 (3.20454e-08% change)
linmin: converged after 5 iterations.
iteration 1587: trace = 2.393039496949947 (1.87243e-08% change)
linmin: converged after 12 iterations.
iteration 1588: trace = 2.393039496108023 (3.51822e-08% change)
linmin: converged after 12 iterations.
iteration 1589: trace = 2.393039494922017 (4.95607e-08% change)
linmin: converged after 4 iterations.
iteration 1590: trace = 2.393039494217895 (2.94238e-08% change)
linmin: converged after 5 iterations.
iteration 1591: trace = 2.393039493122616 (4.57693e-08% change)
linmin: converged after 5 iterations.
iteration 1592: trace = 2.393039492864662 (1.07794e-08% change)
large trace change predicted (2.54462e-08%)
linmin: converged after 3 iterations.
iteration 1593: trace = 2.393039492255582 (2.54521e-08% change)
linmin: converged after 3 iterations.
iteration 1594: trace = 2.393039491909563 (1.44594e-08% change)
linmin: converged after 3 iterations.
iteration 1595: trace = 2.393039491767119 (5.95242e-09% change)
large trace change predicted (1.2642e-08%)
linmin: converged after 6 iterations.
iteration 1596: trace = 2.39303949146463 (1.26404e-08% change)
linmin: converged after 4 iterations.
iteration 1597: trace = 2.393039491352178 (4.69914e-09% change)
large trace change predicted (1.16861e-08%)
linmin: converged after 3 iterations.
iteration 1598: trace = 2.393039491072554 (1.16849e-08% change)
linmin: converged after 3 iterations.
iteration 1599: trace = 2.393039490909507 (6.81338e-09% change)
linmin: converged after 3 iterations.
iteration 1600: trace = 2.393039490781077 (5.36682e-09% change)
large trace change predicted (1.15925e-08%)
linmin: converged after 13 iterations.
iteration 1601: trace = 2.393039490503157 (1.16137e-08% change)
linmin: converged after 12 iterations.
iteration 1602: trace = 2.393039490349005 (6.44167e-09% change)
large trace change predicted (1.48413e-08%)
linmin: converged after 15 iterations.
iteration 1603: trace = 2.393039489993615 (1.4851e-08% change)
linmin: converged after 5 iterations.
iteration 1604: trace = 2.393039489802804 (7.9736e-09% change)
linmin: converged after 4 iterations.
iteration 1605: trace = 2.39303948955998 (1.01471e-08% change)
linmin: converged after 4 iterations.
iteration 1606: trace = 2.393039489352978 (8.65019e-09% change)
large trace change predicted (1.80773e-08%)
linmin: converged after 4 iterations.
iteration 1607: trace = 2.393039488920519 (1.80715e-08% change)
large trace change predicted (5.41189e-08%)
linmin: converged after 9 iterations.
iteration 1608: trace = 2.393039487625458 (5.41178e-08% change)
linmin: converged after 4 iterations.
iteration 1609: trace = 2.393039486940449 (2.86251e-08% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 1610: trace = 2.393039486293925 (2.70169e-08% change)
linmin: converged after 4 iterations.
iteration 1611: trace = 2.393039485388955 (3.78167e-08% change)
linmin: converged after 16 iterations.
iteration 1612: trace = 2.393039484755132 (2.64861e-08% change)
linmin: converged after 5 iterations.
iteration 1613: trace = 2.393039484581986 (7.23542e-09% change)
linmin: converged after 12 iterations.
iteration 1614: trace = 2.393039484270076 (1.3034e-08% change)
linmin: converged after 4 iterations.
iteration 1615: trace = 2.3930394840887 (7.57933e-09% change)
linmin: converged after 8 iterations.
iteration 1616: trace = 2.393039483826325 (1.09641e-08% change)
linmin: converged after 4 iterations.
iteration 1617: trace = 2.393039483556265 (1.12852e-08% change)
linmin: converged after 4 iterations.
iteration 1618: trace = 2.393039483413313 (5.97367e-09% change)
linmin: converged after 4 iterations.
iteration 1619: trace = 2.393039483222195 (7.98642e-09% change)
linmin: converged after 3 iterations.
iteration 1620: trace = 2.393039482975173 (1.03225e-08% change)
linmin: converged after 3 iterations.
iteration 1621: trace = 2.393039482905158 (2.92576e-09% change)
large trace change predicted (1.03505e-08%)
linmin: converged after 4 iterations.
iteration 1622: trace = 2.393039482657469 (1.03504e-08% change)
linmin: converged after 4 iterations.
iteration 1623: trace = 2.393039482463617 (8.1007e-09% change)
linmin: converged after 15 iterations.
iteration 1624: trace = 2.39303948231253 (6.31359e-09% change)
large trace change predicted (1.79524e-08%)
linmin: converged after 10 iterations.
iteration 1625: trace = 2.393039481882585 (1.79665e-08% change)
linmin: converged after 15 iterations.
iteration 1626: trace = 2.393039481512064 (1.54833e-08% change)
linmin: converged after 3 iterations.
iteration 1627: trace = 2.393039481125546 (1.61518e-08% change)
large trace change predicted (4.33055e-08%)
linmin: converged after 11 iterations.
iteration 1628: trace = 2.393039480089096 (4.3311e-08% change)
linmin: converged after 4 iterations.
iteration 1629: trace = 2.393039479778296 (1.29876e-08% change)
large trace change predicted (4.01142e-08%)
linmin: converged after 3 iterations.
iteration 1630: trace = 2.393039478818425 (4.0111e-08% change)
linmin: converged after 4 iterations.
iteration 1631: trace = 2.393039478251282 (2.36997e-08% change)
linmin: converged after 5 iterations.
iteration 1632: trace = 2.393039477978005 (1.14197e-08% change)
linmin: converged after 4 iterations.
iteration 1633: trace = 2.393039477457784 (2.17389e-08% change)
linmin: converged after 12 iterations.
iteration 1634: trace = 2.393039477370332 (3.65444e-09% change)
large trace change predicted (1.15765e-08%)
linmin: converged after 4 iterations.
iteration 1635: trace = 2.39303947709371 (1.15594e-08% change)
linmin: converged after 18 iterations.
iteration 1636: trace = 2.393039476968507 (5.23196e-09% change)
linmin: converged after 7 iterations.
iteration 1637: trace = 2.393039476828804 (5.83787e-09% change)
linmin: converged after 13 iterations.
iteration 1638: trace = 2.393039476564597 (1.10407e-08% change)
linmin: converged after 15 iterations.
iteration 1639: trace = 2.393039476411133 (6.41293e-09% change)
large trace change predicted (1.87805e-08%)
linmin: converged after 3 iterations.
iteration 1640: trace = 2.393039475961852 (1.87745e-08% change)
linmin: converged after 4 iterations.
iteration 1641: trace = 2.393039475097981 (3.60993e-08% change)
linmin: converged after 4 iterations.
iteration 1642: trace = 2.393039474596353 (2.0962e-08% change)
linmin: converged after 8 iterations.
iteration 1643: trace = 2.393039473609147 (4.12532e-08% change)
linmin: converged after 5 iterations.
iteration 1644: trace = 2.39303947320107 (1.70527e-08% change)
linmin: converged after 6 iterations.
iteration 1645: trace = 2.393039472392492 (3.37887e-08% change)
linmin: converged after 4 iterations.
iteration 1646: trace = 2.393039471941734 (1.88362e-08% change)
linmin: converged after 4 iterations.
iteration 1647: trace = 2.393039471307997 (2.64825e-08% change)
linmin: converged after 13 iterations.
iteration 1648: trace = 2.393039470715139 (2.47743e-08% change)
linmin: converged after 4 iterations.
iteration 1649: trace = 2.393039470151842 (2.3539e-08% change)
linmin: converged after 12 iterations.
iteration 1650: trace = 2.393039469530336 (2.59714e-08% change)
linmin: converged after 5 iterations.
iteration 1651: trace = 2.393039469337136 (8.07342e-09% change)
large trace change predicted (2.03484e-08%)
linmin: converged after 6 iterations.
iteration 1652: trace = 2.393039468849951 (2.03584e-08% change)
linmin: converged after 4 iterations.
iteration 1653: trace = 2.393039468640968 (8.73295e-09% change)
linmin: converged after 4 iterations.
iteration 1654: trace = 2.393039468430554 (8.79275e-09% change)
linmin: converged after 15 iterations.
iteration 1655: trace = 2.393039468148006 (1.18071e-08% change)
linmin: converged after 4 iterations.
iteration 1656: trace = 2.393039468004484 (5.9975e-09% change)
linmin: converged after 9 iterations.
iteration 1657: trace = 2.393039467735419 (1.12436e-08% change)
linmin: converged after 10 iterations.
iteration 1658: trace = 2.393039467579606 (6.51112e-09% change)
large trace change predicted (1.33822e-08%)
linmin: converged after 10 iterations.
iteration 1659: trace = 2.393039467259216 (1.33884e-08% change)
linmin: converged after 4 iterations.
iteration 1660: trace = 2.393039466723111 (2.24027e-08% change)
linmin: converged after 5 iterations.
iteration 1661: trace = 2.393039466303676 (1.75273e-08% change)
large trace change predicted (5.62128e-08%)
linmin: converged after 4 iterations.
iteration 1662: trace = 2.393039464958745 (5.62018e-08% change)
linmin: converged after 5 iterations.
iteration 1663: trace = 2.393039464571325 (1.61895e-08% change)
large trace change predicted (4.31953e-08%)
linmin: converged after 8 iterations.
iteration 1664: trace = 2.393039463537659 (4.31947e-08% change)
linmin: converged after 5 iterations.
iteration 1665: trace = 2.393039462371855 (4.87165e-08% change)
linmin: converged after 4 iterations.
iteration 1666: trace = 2.39303946193583 (1.82206e-08% change)
large trace change predicted (4.27269e-08%)
linmin: converged after 11 iterations.
iteration 1667: trace = 2.393039460913331 (4.2728e-08% change)
linmin: converged after 4 iterations.
iteration 1668: trace = 2.39303946070726 (8.61129e-09% change)
large trace change predicted (3.3899e-08%)
linmin: converged after 4 iterations.
iteration 1669: trace = 2.393039459895986 (3.39014e-08% change)
linmin: converged after 4 iterations.
iteration 1670: trace = 2.393039459494159 (1.67915e-08% change)
linmin: converged after 4 iterations.
iteration 1671: trace = 2.393039459126877 (1.53479e-08% change)
linmin: converged after 3 iterations.
iteration 1672: trace = 2.393039458664493 (1.93221e-08% change)
linmin: converged after 12 iterations.
iteration 1673: trace = 2.393039458473856 (7.96629e-09% change)
large trace change predicted (1.65994e-08%)
linmin: converged after 6 iterations.
iteration 1674: trace = 2.393039458075997 (1.66257e-08% change)
linmin: converged after 18 iterations.
iteration 1675: trace = 2.393039457904847 (7.15202e-09% change)
linmin: converged after 7 iterations.
iteration 1676: trace = 2.393039457600002 (1.27388e-08% change)
linmin: converged after 9 iterations.
iteration 1677: trace = 2.393039457434273 (6.92547e-09% change)
linmin: converged after 3 iterations.
iteration 1678: trace = 2.393039457323234 (4.64007e-09% change)
linmin: converged after 3 iterations.
iteration 1679: trace = 2.393039457118042 (8.57455e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1680: trace = 2.393039457014609 (4.32224e-09% change)
linmin: converged after 3 iterations.
iteration 1681: trace = 2.393039456904316 (4.60889e-09% change)
linmin: converged after 7 iterations.
iteration 1682: trace = 2.393039456708687 (8.17493e-09% change)
linmin: converged after 3 iterations.
iteration 1683: trace = 2.393039456565813 (5.97041e-09% change)
large trace change predicted (1.5105e-08%)
linmin: converged after 6 iterations.
iteration 1684: trace = 2.393039456204738 (1.50885e-08% change)
linmin: converged after 4 iterations.
iteration 1685: trace = 2.393039456046751 (6.60194e-09% change)
large trace change predicted (1.70597e-08%)
linmin: converged after 12 iterations.
iteration 1686: trace = 2.393039455638738 (1.705e-08% change)
linmin: converged after 4 iterations.
iteration 1687: trace = 2.393039455243519 (1.65154e-08% change)
linmin: converged after 4 iterations.
iteration 1688: trace = 2.393039455056417 (7.81859e-09% change)
large trace change predicted (1.86223e-08%)
linmin: converged after 9 iterations.
iteration 1689: trace = 2.393039454611054 (1.86108e-08% change)
linmin: converged after 4 iterations.
iteration 1690: trace = 2.393039454171322 (1.83754e-08% change)
linmin: converged after 9 iterations.
iteration 1691: trace = 2.393039453818564 (1.4741e-08% change)
large trace change predicted (3.11372e-08%)
linmin: converged after 7 iterations.
iteration 1692: trace = 2.393039453074008 (3.11134e-08% change)
linmin: converged after 5 iterations.
iteration 1693: trace = 2.393039452797738 (1.15447e-08% change)
large trace change predicted (3.30116e-08%)
linmin: converged after 3 iterations.
iteration 1694: trace = 2.393039452007406 (3.30263e-08% change)
linmin: converged after 6 iterations.
iteration 1695: trace = 2.393039451439866 (2.37163e-08% change)
linmin: converged after 6 iterations.
iteration 1696: trace = 2.393039451134685 (1.27529e-08% change)
large trace change predicted (2.85332e-08%)
linmin: converged after 16 iterations.
iteration 1697: trace = 2.393039450452045 (2.85261e-08% change)
linmin: converged after 6 iterations.
iteration 1698: trace = 2.393039450265314 (7.80309e-09% change)
linmin: converged after 7 iterations.
iteration 1699: trace = 2.393039449921884 (1.43512e-08% change)
linmin: converged after 4 iterations.
iteration 1700: trace = 2.393039449775002 (6.13787e-09% change)
linmin: converged after 12 iterations.
iteration 1701: trace = 2.393039449638505 (5.7039e-09% change)
linmin: converged after 3 iterations.
iteration 1702: trace = 2.393039449532193 (4.44258e-09% change)
linmin: converged after 4 iterations.
iteration 1703: trace = 2.393039449473548 (2.45063e-09% change)
large trace change predicted (6.5718e-09%)
linmin: converged after 6 iterations.
iteration 1704: trace = 2.393039449316916 (6.54534e-09% change)
linmin: converged after 4 iterations.
iteration 1705: trace = 2.393039449232301 (3.53584e-09% change)
linmin: converged after 3 iterations.
iteration 1706: trace = 2.393039449109216 (5.14346e-09% change)
linmin: converged after 4 iterations.
iteration 1707: trace = 2.393039448870016 (9.99568e-09% change)
linmin: converged after 5 iterations.
iteration 1708: trace = 2.393039448784958 (3.55436e-09% change)
large trace change predicted (1.22669e-08%)
linmin: converged after 4 iterations.
iteration 1709: trace = 2.39303944849109 (1.22801e-08% change)
linmin: converged after 3 iterations.
iteration 1710: trace = 2.393039448213335 (1.16068e-08% change)
linmin: converged after 4 iterations.
iteration 1711: trace = 2.393039448070876 (5.95305e-09% change)
large trace change predicted (1.67228e-08%)
linmin: converged after 15 iterations.
iteration 1712: trace = 2.393039447670758 (1.67201e-08% change)
linmin: converged after 8 iterations.
iteration 1713: trace = 2.393039447560109 (4.62378e-09% change)
large trace change predicted (1.78453e-08%)
linmin: converged after 4 iterations.
iteration 1714: trace = 2.39303944713308 (1.78447e-08% change)
linmin: converged after 9 iterations.
iteration 1715: trace = 2.393039446935062 (8.27475e-09% change)
linmin: converged after 4 iterations.
iteration 1716: trace = 2.393039446642102 (1.22422e-08% change)
linmin: converged after 10 iterations.
iteration 1717: trace = 2.393039446359064 (1.18276e-08% change)
linmin: converged after 3 iterations.
iteration 1718: trace = 2.393039446286803 (3.01963e-09% change)
large trace change predicted (7.52314e-09%)
linmin: converged after 4 iterations.
iteration 1719: trace = 2.393039446107193 (7.50552e-09% change)
linmin: converged after 12 iterations.
iteration 1720: trace = 2.393039446075387 (1.32909e-09% change)
large trace change predicted (4.15695e-09%)
linmin: converged after 3 iterations.
iteration 1721: trace = 2.393039445975782 (4.16227e-09% change)
linmin: converged after 3 iterations.
iteration 1722: trace = 2.393039445953484 (9.31793e-10% change)
large trace change predicted (2.28144e-09%)
linmin: converged after 3 iterations.
iteration 1723: trace = 2.393039445898906 (2.28072e-09% change)
linmin: converged after 4 iterations.
iteration 1724: trace = 2.393039445864279 (1.44697e-09% change)
linmin: converged after 6 iterations.
iteration 1725: trace = 2.393039445815468 (2.03971e-09% change)
linmin: converged after 3 iterations.
iteration 1726: trace = 2.39303944578284 (1.36344e-09% change)
large trace change predicted (5.70781e-09%)
linmin: converged after 3 iterations.
iteration 1727: trace = 2.393039445646182 (5.71066e-09% change)
linmin: converged after 3 iterations.
iteration 1728: trace = 2.393039445598301 (2.00086e-09% change)
large trace change predicted (6.80709e-09%)
linmin: converged after 3 iterations.
iteration 1729: trace = 2.393039445435487 (6.80364e-09% change)
linmin: converged after 3 iterations.
iteration 1730: trace = 2.39303944531831 (4.89657e-09% change)
linmin: converged after 5 iterations.
iteration 1731: trace = 2.393039445228778 (3.74135e-09% change)
large trace change predicted (7.71732e-09%)
linmin: converged after 3 iterations.
iteration 1732: trace = 2.393039445044142 (7.71556e-09% change)
linmin: converged after 3 iterations.
iteration 1733: trace = 2.393039444971511 (3.03509e-09% change)
linmin: converged after 3 iterations.
iteration 1734: trace = 2.393039444840666 (5.46774e-09% change)
linmin: converged after 3 iterations.
iteration 1735: trace = 2.393039444714778 (5.2606e-09% change)
linmin: converged after 3 iterations.
iteration 1736: trace = 2.393039444675937 (1.62308e-09% change)
linmin: converged after 4 iterations.
iteration 1737: trace = 2.393039444603462 (3.02859e-09% change)
linmin: converged after 3 iterations.
iteration 1738: trace = 2.393039444523325 (3.34873e-09% change)
linmin: converged after 3 iterations.
iteration 1739: trace = 2.393039444493621 (1.24128e-09% change)
linmin: converged after 6 iterations.
iteration 1740: trace = 2.393039444443883 (2.07844e-09% change)
linmin: converged after 6 iterations.
iteration 1741: trace = 2.393039444382688 (2.55719e-09% change)
linmin: converged after 4 iterations.
iteration 1742: trace = 2.39303944436344 (8.04339e-10% change)
linmin: converged after 3 iterations.
iteration 1743: trace = 2.393039444345386 (7.54438e-10% change)
linmin: converged after 3 iterations.
iteration 1744: trace = 2.393039444310664 (1.45096e-09% change)
linmin: converged after 3 iterations.
iteration 1745: trace = 2.393039444292932 (7.41003e-10% change)
linmin: converged after 3 iterations.
iteration 1746: trace = 2.393039444278023 (6.23014e-10% change)
large trace change predicted (1.26916e-09%)
linmin: converged after 3 iterations.
iteration 1747: trace = 2.39303944424796 (1.25625e-09% change)
linmin: converged after 3 iterations.
iteration 1748: trace = 2.393039444228026 (8.33011e-10% change)
linmin: converged after 5 iterations.
iteration 1749: trace = 2.393039444218437 (4.00694e-10% change)
resetting CG direction...
large trace change predicted (9.52251e-10%)
linmin: converged after 4 iterations.
iteration 1750: trace = 2.393039444195666 (9.51556e-10% change)
linmin: converged after 3 iterations.
iteration 1751: trace = 2.393039444177546 (7.57185e-10% change)
linmin: converged after 3 iterations.
iteration 1752: trace = 2.393039444146321 (1.30484e-09% change)
linmin: converged after 5 iterations.
iteration 1753: trace = 2.39303944413465 (4.87692e-10% change)
large trace change predicted (1.82599e-09%)
linmin: converged after 3 iterations.
iteration 1754: trace = 2.393039444090912 (1.82775e-09% change)
linmin: converged after 3 iterations.
iteration 1755: trace = 2.393039444061502 (1.22897e-09% change)
linmin: converged after 3 iterations.
iteration 1756: trace = 2.393039444020474 (1.71446e-09% change)
linmin: converged after 3 iterations.
iteration 1757: trace = 2.393039443954934 (2.73878e-09% change)
linmin: converged after 12 iterations.
iteration 1758: trace = 2.393039443919599 (1.47657e-09% change)
large trace change predicted (4.02759e-09%)
linmin: converged after 3 iterations.
iteration 1759: trace = 2.393039443823342 (4.0224e-09% change)
linmin: converged after 10 iterations.
iteration 1760: trace = 2.393039443738229 (3.55666e-09% change)
linmin: converged after 4 iterations.
iteration 1761: trace = 2.393039443622853 (4.8213e-09% change)
large trace change predicted (9.66329e-09%)
linmin: converged after 9 iterations.
iteration 1762: trace = 2.393039443391864 (9.65256e-09% change)
linmin: converged after 3 iterations.
iteration 1763: trace = 2.393039443336197 (2.32621e-09% change)
large trace change predicted (5.4175e-09%)
linmin: converged after 4 iterations.
iteration 1764: trace = 2.393039443206546 (5.41785e-09% change)
linmin: converged after 3 iterations.
iteration 1765: trace = 2.393039443122075 (3.52983e-09% change)
linmin: converged after 3 iterations.
iteration 1766: trace = 2.393039443038401 (3.49657e-09% change)
large trace change predicted (7.6054e-09%)
linmin: converged after 6 iterations.
iteration 1767: trace = 2.393039442856517 (7.60054e-09% change)
linmin: converged after 10 iterations.
iteration 1768: trace = 2.3930394428069 (2.07338e-09% change)
large trace change predicted (7.19913e-09%)
linmin: converged after 4 iterations.
iteration 1769: trace = 2.393039442634707 (7.19561e-09% change)
linmin: converged after 3 iterations.
iteration 1770: trace = 2.393039442581494 (2.22366e-09% change)
linmin: converged after 4 iterations.
iteration 1771: trace = 2.393039442523689 (2.41552e-09% change)
linmin: converged after 3 iterations.
iteration 1772: trace = 2.393039442439991 (3.49758e-09% change)
linmin: converged after 4 iterations.
iteration 1773: trace = 2.393039442413424 (1.11017e-09% change)
large trace change predicted (2.75507e-09%)
linmin: converged after 6 iterations.
iteration 1774: trace = 2.393039442347044 (2.77389e-09% change)
linmin: converged after 6 iterations.
iteration 1775: trace = 2.393039442328087 (7.92166e-10% change)
large trace change predicted (3.22877e-09%)
linmin: converged after 3 iterations.
iteration 1776: trace = 2.393039442250741 (3.23211e-09% change)
linmin: converged after 6 iterations.
iteration 1777: trace = 2.39303944221371 (1.54746e-09% change)
large trace change predicted (3.34274e-09%)
linmin: converged after 3 iterations.
iteration 1778: trace = 2.393039442133237 (3.36279e-09% change)
large trace change predicted (8.09184e-09%)
linmin: converged after 17 iterations.
iteration 1779: trace = 2.393039441939736 (8.08598e-09% change)
linmin: converged after 3 iterations.
iteration 1780: trace = 2.393039441833837 (4.42532e-09% change)
large trace change predicted (1.34704e-08%)
linmin: converged after 10 iterations.
iteration 1781: trace = 2.393039441511344 (1.34763e-08% change)
linmin: converged after 10 iterations.
iteration 1782: trace = 2.393039441304755 (8.63291e-09% change)
linmin: converged after 12 iterations.
iteration 1783: trace = 2.39303944107243 (9.70839e-09% change)
linmin: converged after 6 iterations.
iteration 1784: trace = 2.393039440915222 (6.56939e-09% change)
linmin: converged after 13 iterations.
iteration 1785: trace = 2.393039440818795 (4.02947e-09% change)
linmin: converged after 3 iterations.
iteration 1786: trace = 2.393039440676874 (5.93056e-09% change)
linmin: converged after 9 iterations.
iteration 1787: trace = 2.393039440620795 (2.34343e-09% change)
large trace change predicted (4.90466e-09%)
linmin: converged after 3 iterations.
iteration 1788: trace = 2.393039440503506 (4.90125e-09% change)
linmin: converged after 5 iterations.
iteration 1789: trace = 2.393039440446732 (2.37247e-09% change)
linmin: converged after 6 iterations.
iteration 1790: trace = 2.393039440361032 (3.5812e-09% change)
linmin: converged after 3 iterations.
iteration 1791: trace = 2.393039440311737 (2.05996e-09% change)
linmin: converged after 4 iterations.
iteration 1792: trace = 2.393039440272974 (1.61979e-09% change)
linmin: converged after 6 iterations.
iteration 1793: trace = 2.393039440199366 (3.07595e-09% change)
linmin: converged after 12 iterations.
iteration 1794: trace = 2.393039440165944 (1.3966e-09% change)
large trace change predicted (3.70625e-09%)
linmin: converged after 5 iterations.
iteration 1795: trace = 2.393039440077674 (3.68864e-09% change)
linmin: converged after 3 iterations.
iteration 1796: trace = 2.393039440030697 (1.96307e-09% change)
large trace change predicted (4.79803e-09%)
linmin: converged after 10 iterations.
iteration 1797: trace = 2.393039439915658 (4.80724e-09% change)
linmin: converged after 12 iterations.
iteration 1798: trace = 2.393039439814751 (4.21666e-09% change)
linmin: converged after 4 iterations.
iteration 1799: trace = 2.393039439692446 (5.11086e-09% change)
large trace change predicted (1.0631e-08%)
linmin: converged after 3 iterations.
iteration 1800: trace = 2.39303943943804 (1.06311e-08% change)
linmin: converged after 4 iterations.
iteration 1801: trace = 2.393039439290153 (6.17988e-09% change)
large trace change predicted (1.93354e-08%)
linmin: converged after 12 iterations.
iteration 1802: trace = 2.393039438827166 (1.93472e-08% change)
linmin: converged after 4 iterations.
iteration 1803: trace = 2.393039438627755 (8.33295e-09% change)
linmin: converged after 15 iterations.
iteration 1804: trace = 2.393039438344062 (1.18549e-08% change)
linmin: converged after 3 iterations.
iteration 1805: trace = 2.393039438183445 (6.71183e-09% change)
linmin: converged after 3 iterations.
iteration 1806: trace = 2.393039438114115 (2.89717e-09% change)
large trace change predicted (6.29463e-09%)
linmin: converged after 6 iterations.
iteration 1807: trace = 2.393039437963845 (6.27944e-09% change)
linmin: converged after 5 iterations.
iteration 1808: trace = 2.39303943791392 (2.08628e-09% change)
linmin: converged after 5 iterations.
iteration 1809: trace = 2.393039437874635 (1.64164e-09% change)
linmin: converged after 3 iterations.
iteration 1810: trace = 2.393039437823133 (2.15214e-09% change)
linmin: converged after 9 iterations.
iteration 1811: trace = 2.393039437792614 (1.27533e-09% change)
large trace change predicted (5.16832e-09%)
linmin: converged after 5 iterations.
iteration 1812: trace = 2.393039437669096 (5.16156e-09% change)
linmin: converged after 6 iterations.
iteration 1813: trace = 2.393039437561806 (4.48341e-09% change)
linmin: converged after 4 iterations.
iteration 1814: trace = 2.393039437470394 (3.81992e-09% change)
large trace change predicted (9.6568e-09%)
linmin: converged after 3 iterations.
iteration 1815: trace = 2.393039437239216 (9.66044e-09% change)
linmin: converged after 3 iterations.
iteration 1816: trace = 2.393039437195021 (1.84679e-09% change)
large trace change predicted (8.05644e-09%)
linmin: converged after 6 iterations.
iteration 1817: trace = 2.393039437001947 (8.06815e-09% change)
linmin: converged after 6 iterations.
iteration 1818: trace = 2.393039436913043 (3.71511e-09% change)
linmin: converged after 3 iterations.
iteration 1819: trace = 2.393039436735796 (7.4068e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1820: trace = 2.393039436615087 (5.04416e-09% change)
linmin: converged after 5 iterations.
iteration 1821: trace = 2.393039436553057 (2.59212e-09% change)
large trace change predicted (8.69087e-09%)
linmin: converged after 6 iterations.
iteration 1822: trace = 2.393039436344917 (8.69773e-09% change)
linmin: converged after 4 iterations.
iteration 1823: trace = 2.393039436284367 (2.53023e-09% change)
large trace change predicted (6.18035e-09%)
linmin: converged after 3 iterations.
iteration 1824: trace = 2.3930394361362 (6.19161e-09% change)
linmin: converged after 6 iterations.
iteration 1825: trace = 2.393039436018256 (4.92862e-09% change)
linmin: converged after 6 iterations.
iteration 1826: trace = 2.393039435969046 (2.05636e-09% change)
linmin: converged after 3 iterations.
iteration 1827: trace = 2.39303943588169 (3.65042e-09% change)
linmin: converged after 4 iterations.
iteration 1828: trace = 2.393039435842717 (1.62861e-09% change)
linmin: converged after 3 iterations.
iteration 1829: trace = 2.393039435813915 (1.20359e-09% change)
linmin: converged after 5 iterations.
iteration 1830: trace = 2.393039435779417 (1.44159e-09% change)
linmin: converged after 3 iterations.
iteration 1831: trace = 2.393039435766638 (5.33993e-10% change)
large trace change predicted (3.41338e-09%)
linmin: converged after 3 iterations.
iteration 1832: trace = 2.393039435684921 (3.41477e-09% change)
linmin: converged after 3 iterations.
iteration 1833: trace = 2.393039435650287 (1.4473e-09% change)
large trace change predicted (4.76432e-09%)
linmin: converged after 3 iterations.
iteration 1834: trace = 2.393039435536316 (4.76259e-09% change)
linmin: converged after 3 iterations.
iteration 1835: trace = 2.393039435396384 (5.84746e-09% change)
linmin: converged after 4 iterations.
iteration 1836: trace = 2.393039435335645 (2.53815e-09% change)
large trace change predicted (1.09733e-08%)
linmin: converged after 6 iterations.
iteration 1837: trace = 2.393039435073163 (1.09686e-08% change)
linmin: converged after 9 iterations.
iteration 1838: trace = 2.393039434991662 (3.40577e-09% change)
linmin: converged after 3 iterations.
iteration 1839: trace = 2.39303943487383 (4.92393e-09% change)
linmin: converged after 3 iterations.
iteration 1840: trace = 2.393039434800345 (3.07079e-09% change)
linmin: converged after 6 iterations.
iteration 1841: trace = 2.393039434770315 (1.25488e-09% change)
linmin: converged after 5 iterations.
iteration 1842: trace = 2.393039434732226 (1.59168e-09% change)
linmin: converged after 4 iterations.
iteration 1843: trace = 2.393039434688152 (1.84176e-09% change)
linmin: converged after 4 iterations.
iteration 1844: trace = 2.39303943467836 (4.09175e-10% change)
large trace change predicted (1.64274e-09%)
linmin: converged after 4 iterations.
iteration 1845: trace = 2.393039434638748 (1.65531e-09% change)
linmin: converged after 3 iterations.
iteration 1846: trace = 2.393039434617966 (8.684e-10% change)
linmin: converged after 4 iterations.
iteration 1847: trace = 2.393039434606084 (4.96544e-10% change)
large trace change predicted (1.08612e-09%)
linmin: converged after 5 iterations.
iteration 1848: trace = 2.393039434580546 (1.06717e-09% change)
linmin: converged after 4 iterations.
iteration 1849: trace = 2.393039434567339 (5.51883e-10% change)
large trace change predicted (1.3046e-09%)
linmin: converged after 5 iterations.
iteration 1850: trace = 2.393039434535825 (1.31694e-09% change)
linmin: converged after 6 iterations.
iteration 1851: trace = 2.393039434518744 (7.1376e-10% change)
large trace change predicted (1.71326e-09%)
linmin: converged after 3 iterations.
iteration 1852: trace = 2.393039434477874 (1.70785e-09% change)
linmin: converged after 6 iterations.
iteration 1853: trace = 2.39303943445434 (9.83457e-10% change)
large trace change predicted (2.34054e-09%)
linmin: converged after 3 iterations.
iteration 1854: trace = 2.393039434398526 (2.33237e-09% change)
linmin: converged after 4 iterations.
iteration 1855: trace = 2.393039434377281 (8.87756e-10% change)
large trace change predicted (2.73964e-09%)
linmin: converged after 3 iterations.
iteration 1856: trace = 2.393039434312235 (2.71816e-09% change)
linmin: converged after 5 iterations.
iteration 1857: trace = 2.393039434277281 (1.46063e-09% change)
large trace change predicted (3.22141e-09%)
linmin: converged after 7 iterations.
iteration 1858: trace = 2.393039434199886 (3.23419e-09% change)
linmin: converged after 6 iterations.
iteration 1859: trace = 2.39303943417769 (9.27524e-10% change)
large trace change predicted (3.00258e-09%)
linmin: converged after 5 iterations.
iteration 1860: trace = 2.393039434105628 (3.01129e-09% change)
linmin: converged after 3 iterations.
iteration 1861: trace = 2.3930394340861 (8.16049e-10% change)
linmin: converged after 3 iterations.
iteration 1862: trace = 2.39303943406486 (8.87551e-10% change)
linmin: converged after 3 iterations.
iteration 1863: trace = 2.393039434048505 (6.83474e-10% change)
linmin: converged after 3 iterations.
iteration 1864: trace = 2.393039434038708 (4.09361e-10% change)
linmin: converged after 5 iterations.
iteration 1865: trace = 2.393039434030361 (3.48807e-10% change)
linmin: converged after 5 iterations.
iteration 1866: trace = 2.393039434022309 (3.36485e-10% change)
linmin: converged after 3 iterations.
iteration 1867: trace = 2.393039434012162 (4.2404e-10% change)
linmin: converged after 6 iterations.
iteration 1868: trace = 2.393039434003842 (3.47675e-10% change)
linmin: converged after 3 iterations.
iteration 1869: trace = 2.393039433988787 (6.29082e-10% change)
linmin: converged after 6 iterations.
iteration 1870: trace = 2.393039433978263 (4.39814e-10% change)
linmin: converged after 5 iterations.
iteration 1871: trace = 2.393039433957409 (8.71406e-10% change)
linmin: converged after 4 iterations.
iteration 1872: trace = 2.393039433943766 (5.70143e-10% change)
linmin: converged after 3 iterations.
iteration 1873: trace = 2.393039433923201 (8.59344e-10% change)
linmin: converged after 3 iterations.
iteration 1874: trace = 2.393039433893358 (1.24707e-09% change)
linmin: converged after 4 iterations.
iteration 1875: trace = 2.393039433876588 (7.00788e-10% change)
linmin: converged after 4 iterations.
iteration 1876: trace = 2.393039433852826 (9.92995e-10% change)
linmin: converged after 4 iterations.
iteration 1877: trace = 2.393039433838712 (5.89759e-10% change)
large trace change predicted (1.2533e-09%)
linmin: converged after 3 iterations.
iteration 1878: trace = 2.393039433808313 (1.27034e-09% change)
linmin: converged after 3 iterations.
iteration 1879: trace = 2.393039433794997 (5.56429e-10% change)
large trace change predicted (1.19387e-09%)
linmin: converged after 5 iterations.
iteration 1880: trace = 2.393039433766649 (1.18462e-09% change)
linmin: converged after 6 iterations.
iteration 1881: trace = 2.393039433752501 (5.91206e-10% change)
linmin: converged after 3 iterations.
iteration 1882: trace = 2.393039433727414 (1.04833e-09% change)
linmin: converged after 3 iterations.
iteration 1883: trace = 2.393039433703695 (9.91177e-10% change)
linmin: converged after 4 iterations.
iteration 1884: trace = 2.39303943369355 (4.2391e-10% change)
linmin: converged after 3 iterations.
iteration 1885: trace = 2.393039433674987 (7.75705e-10% change)
linmin: converged after 4 iterations.
iteration 1886: trace = 2.393039433670693 (1.79433e-10% change)
linmin: converged after 3 iterations.
iteration 1887: trace = 2.393039433664913 (2.41545e-10% change)
linmin: converged after 3 iterations.
iteration 1888: trace = 2.393039433658601 (2.63758e-10% change)
linmin: converged after 3 iterations.
iteration 1889: trace = 2.393039433654001 (1.92256e-10% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1890: trace = 2.393039433651856 (8.96144e-11% change)
Finished solving for bands 2 to 10 after 1890 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016
elapsed time for k point: 36.58587312698364
solve_kpoint (0.166667,0,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
iteration 1: trace = 2.4726064316793 (8.48024% change)
linmin: converged after 6 iterations.
iteration 2: trace = 2.453425743842929 (0.778748% change)
linmin: converged after 6 iterations.
iteration 3: trace = 2.442844417482463 (0.43222% change)
linmin: converged after 6 iterations.
iteration 4: trace = 2.431161848781773 (0.479383% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.426060275410308 (0.210061% change)
linmin: converged after 8 iterations.
iteration 6: trace = 2.423173496441477 (0.119061% change)
linmin: converged after 6 iterations.
iteration 7: trace = 2.421004974464662 (0.0895311% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.419230588502718 (0.0733182% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.418879966551738 (0.0144942% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.418217811138232 (0.0273782% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.41791661414678 (0.0124561% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.417553417119585 (0.0150222% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.417324392266428 (0.00947386% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.417053478147193 (0.0112078% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.416983339184622 (0.00290188% change)
large trace change predicted (0.00610733%)
linmin: converged after 3 iterations.
iteration 16: trace = 2.41683413845168 (0.00617321% change)
linmin: converged after 4 iterations.
iteration 17: trace = 2.416789893810626 (0.0018307% change)
large trace change predicted (0.00505464%)
linmin: converged after 3 iterations.
iteration 18: trace = 2.416666947212843 (0.00508732% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.416616681223286 (0.00207999% change)
linmin: converged after 3 iterations.
iteration 20: trace = 2.416550540418851 (0.00273695% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.416470727588368 (0.00330281% change)
linmin: converged after 3 iterations.
iteration 22: trace = 2.416391460051795 (0.00328036% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.416340837484853 (0.00209499% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.416269502934743 (0.00295222% change)
linmin: converged after 6 iterations.
iteration 25: trace = 2.416222967868819 (0.00192592% change)
linmin: converged after 3 iterations.
iteration 26: trace = 2.416194248941607 (0.00118859% change)
large trace change predicted (0.00530475%)
linmin: converged after 3 iterations.
iteration 27: trace = 2.416065966449136 (0.00530942% change)
linmin: converged after 3 iterations.
iteration 28: trace = 2.416019766155136 (0.00191223% change)
large trace change predicted (0.00450147%)
linmin: converged after 4 iterations.
iteration 29: trace = 2.415911185989398 (0.00449428% change)
linmin: converged after 3 iterations.
iteration 30: trace = 2.415826340151925 (0.00351202% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.415706050016934 (0.00497938% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.415628014634792 (0.00323039% change)
large trace change predicted (0.0107004%)
linmin: converged after 3 iterations.
iteration 33: trace = 2.415370536076258 (0.0106594% change)
linmin: converged after 3 iterations.
iteration 34: trace = 2.415301752322894 (0.00284779% change)
large trace change predicted (0.0088786%)
linmin: converged after 4 iterations.
iteration 35: trace = 2.415087783883891 (0.00885926% change)
linmin: converged after 4 iterations.
iteration 36: trace = 2.41499630719488 (0.00378779% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.414847790234521 (0.00614997% change)
linmin: converged after 4 iterations.
iteration 38: trace = 2.414719179207967 (0.00532599% change)
linmin: converged after 4 iterations.
iteration 39: trace = 2.414561279642779 (0.00653926% change)
linmin: converged after 4 iterations.
iteration 40: trace = 2.414484109960662 (0.00319606% change)
linmin: converged after 4 iterations.
iteration 41: trace = 2.414383085142223 (0.0041842% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.414348660207591 (0.00142584% change)
linmin: converged after 4 iterations.
iteration 43: trace = 2.414292741164467 (0.00231614% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.414262839432096 (0.00123854% change)
linmin: converged after 4 iterations.
iteration 45: trace = 2.414243275460592 (0.000810353% change)
linmin: converged after 3 iterations.
iteration 46: trace = 2.414221969413599 (0.000882518% change)
linmin: converged after 4 iterations.
iteration 47: trace = 2.414189342424333 (0.00135146% change)
linmin: converged after 3 iterations.
iteration 48: trace = 2.414175447826379 (0.000575541% change)
large trace change predicted (0.00151726%)
linmin: converged after 4 iterations.
iteration 49: trace = 2.414139131820406 (0.00150429% change)
linmin: converged after 3 iterations.
iteration 50: trace = 2.414108614772963 (0.0012641% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.414084439505118 (0.00100142% change)
linmin: converged after 3 iterations.
iteration 52: trace = 2.414051975715635 (0.00134478% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.414006541143371 (0.00188211% change)
linmin: converged after 3 iterations.
iteration 54: trace = 2.413987554951889 (0.000786504% change)
large trace change predicted (0.00171873%)
linmin: converged after 4 iterations.
iteration 55: trace = 2.413946350924714 (0.0017069% change)
linmin: converged after 3 iterations.
iteration 56: trace = 2.413918618368818 (0.00114885% change)
linmin: converged after 4 iterations.
iteration 57: trace = 2.413893179810757 (0.00105383% change)
linmin: converged after 3 iterations.
iteration 58: trace = 2.413859240154034 (0.00140602% change)
linmin: converged after 4 iterations.
iteration 59: trace = 2.413820611833855 (0.00160029% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.41379371660232 (0.00111422% change)
linmin: converged after 4 iterations.
iteration 61: trace = 2.413747556623282 (0.00191236% change)
linmin: converged after 3 iterations.
iteration 62: trace = 2.413717636611619 (0.00123957% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.413670772128531 (0.00194161% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.413608472937484 (0.00258113% change)
linmin: converged after 4 iterations.
iteration 65: trace = 2.413550361068726 (0.0024077% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.413476868707579 (0.00304504% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.413393443352889 (0.00345671% change)
linmin: converged after 3 iterations.
iteration 68: trace = 2.413361558952807 (0.00132115% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.413309206980998 (0.00216928% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 2.413292433617291 (0.000695038% change)
linmin: converged after 3 iterations.
iteration 71: trace = 2.413275725259813 (0.000692349% change)
linmin: converged after 3 iterations.
iteration 72: trace = 2.413247286264708 (0.00117845% change)
linmin: converged after 5 iterations.
iteration 73: trace = 2.413240949546879 (0.000262581% change)
large trace change predicted (0.000686852%)
linmin: converged after 3 iterations.
iteration 74: trace = 2.413224351266146 (0.000687803% change)
linmin: converged after 5 iterations.
iteration 75: trace = 2.413219298346457 (0.000209385% change)
linmin: converged after 3 iterations.
iteration 76: trace = 2.413214471341386 (0.000200024% change)
linmin: converged after 3 iterations.
iteration 77: trace = 2.413206821557941 (0.000316996% change)
linmin: converged after 3 iterations.
iteration 78: trace = 2.413202672014996 (0.000171952% change)
linmin: converged after 3 iterations.
iteration 79: trace = 2.413195507090028 (0.000296906% change)
large trace change predicted (0.000675692%)
linmin: converged after 3 iterations.
iteration 80: trace = 2.413179123118357 (0.000678935% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.413174486119533 (0.000192153% change)
large trace change predicted (0.000670701%)
linmin: converged after 3 iterations.
iteration 82: trace = 2.413158287901495 (0.000671243% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.413137365157749 (0.000867031% change)
linmin: converged after 4 iterations.
iteration 84: trace = 2.41313205125692 (0.000220207% change)
large trace change predicted (0.00137282%)
linmin: converged after 3 iterations.
iteration 85: trace = 2.413098599305338 (0.00138626% change)
linmin: converged after 3 iterations.
iteration 86: trace = 2.413088249700511 (0.000428894% change)
linmin: converged after 4 iterations.
iteration 87: trace = 2.413069986749186 (0.000756832% change)
linmin: converged after 5 iterations.
iteration 88: trace = 2.413059110486709 (0.000450724% change)
linmin: converged after 4 iterations.
iteration 89: trace = 2.413054799908851 (0.000178636% change)
large trace change predicted (0.000378474%)
linmin: converged after 3 iterations.
iteration 90: trace = 2.413045656037611 (0.000378934% change)
linmin: converged after 7 iterations.
iteration 91: trace = 2.413029361528956 (0.00067527% change)
linmin: converged after 4 iterations.
iteration 92: trace = 2.413026310086575 (0.000126457% change)
large trace change predicted (0.000680895%)
linmin: converged after 4 iterations.
iteration 93: trace = 2.413009836157888 (0.000682711% change)
linmin: converged after 4 iterations.
iteration 94: trace = 2.413004932270046 (0.000203227% change)
linmin: converged after 3 iterations.
iteration 95: trace = 2.413000982549347 (0.000163685% change)
large trace change predicted (0.000575076%)
linmin: converged after 3 iterations.
iteration 96: trace = 2.412987084441429 (0.000575969% change)
linmin: converged after 4 iterations.
iteration 97: trace = 2.412981962610885 (0.000212261% change)
linmin: converged after 8 iterations.
iteration 98: trace = 2.412974933898496 (0.000291288% change)
linmin: converged after 3 iterations.
iteration 99: trace = 2.412971633220663 (0.000136789% change)
linmin: converged after 10 iterations.
iteration 100: trace = 2.41296969963357 (8.01331e-05% change)
large trace change predicted (0.000185934%)
linmin: converged after 5 iterations.
iteration 101: trace = 2.412965212817154 (0.000185946% change)
linmin: converged after 4 iterations.
iteration 102: trace = 2.412957829001476 (0.000306006% change)
linmin: converged after 3 iterations.
iteration 103: trace = 2.412955621846459 (9.1471e-05% change)
large trace change predicted (0.000451406%)
linmin: converged after 4 iterations.
iteration 104: trace = 2.412944779572966 (0.000449337% change)
linmin: converged after 3 iterations.
iteration 105: trace = 2.412939567470628 (0.000216006% change)
large trace change predicted (0.000436625%)
linmin: converged after 4 iterations.
iteration 106: trace = 2.412929065296473 (0.000435245% change)
linmin: converged after 4 iterations.
iteration 107: trace = 2.412912366097883 (0.000692074% change)
linmin: converged after 4 iterations.
iteration 108: trace = 2.41288272467351 (0.00122846% change)
linmin: converged after 4 iterations.
iteration 109: trace = 2.412866258143775 (0.000682445% change)
large trace change predicted (0.0014041%)
linmin: converged after 4 iterations.
iteration 110: trace = 2.412832868724427 (0.00138382% change)
linmin: converged after 5 iterations.
iteration 111: trace = 2.412826949669475 (0.000245316% change)
linmin: converged after 4 iterations.
iteration 112: trace = 2.412818867669138 (0.00033496% change)
linmin: converged after 4 iterations.
iteration 113: trace = 2.412807732728217 (0.000461492% change)
linmin: converged after 4 iterations.
iteration 114: trace = 2.412803749127395 (0.000165102% change)
linmin: converged after 5 iterations.
iteration 115: trace = 2.412797318292959 (0.00026653% change)
linmin: converged after 3 iterations.
iteration 116: trace = 2.412796040493983 (5.29592e-05% change)
large trace change predicted (0.000176609%)
linmin: converged after 3 iterations.
iteration 117: trace = 2.412791778982473 (0.000176621% change)
linmin: converged after 6 iterations.
iteration 118: trace = 2.412788945390335 (0.00011744% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.412787800517203 (4.74502e-05% change)
large trace change predicted (0.00021539%)
linmin: converged after 22 iterations.
iteration 120: trace = 2.412782608800236 (0.000215175% change)
linmin: converged after 4 iterations.
iteration 121: trace = 2.412781603210585 (4.16776e-05% change)
large trace change predicted (0.000159619%)
linmin: converged after 5 iterations.
iteration 122: trace = 2.412777756651581 (0.000159424% change)
linmin: converged after 21 iterations.
iteration 123: trace = 2.412776280560054 (6.11781e-05% change)
linmin: converged after 3 iterations.
iteration 124: trace = 2.412774811197002 (6.08993e-05% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.412773078731524 (7.18039e-05% change)
linmin: converged after 4 iterations.
iteration 126: trace = 2.412772023610564 (4.37306e-05% change)
large trace change predicted (0.000144159%)
linmin: converged after 4 iterations.
iteration 127: trace = 2.412768545458258 (0.000144156% change)
linmin: converged after 3 iterations.
iteration 128: trace = 2.412764329648909 (0.000174729% change)
linmin: converged after 3 iterations.
iteration 129: trace = 2.412762690065943 (6.79546e-05% change)
large trace change predicted (0.00022691%)
linmin: converged after 6 iterations.
iteration 130: trace = 2.412757221377979 (0.000226657% change)
linmin: converged after 5 iterations.
iteration 131: trace = 2.412750327851664 (0.000285712% change)
linmin: converged after 4 iterations.
iteration 132: trace = 2.412744959840375 (0.000222485% change)
large trace change predicted (0.000506633%)
linmin: converged after 3 iterations.
iteration 133: trace = 2.412732720642922 (0.000507274% change)
linmin: converged after 3 iterations.
iteration 134: trace = 2.412730954631478 (7.31955e-05% change)
large trace change predicted (0.000324304%)
linmin: converged after 4 iterations.
iteration 135: trace = 2.412723121123227 (0.000324674% change)
linmin: converged after 3 iterations.
iteration 136: trace = 2.412721615473608 (6.24046e-05% change)
linmin: converged after 4 iterations.
iteration 137: trace = 2.412719153146647 (0.000102056% change)
linmin: converged after 4 iterations.
iteration 138: trace = 2.412714752145698 (0.000182409% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.412714235129618 (2.14288e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.412713784754152 (1.86668e-05% change)
large trace change predicted (6.16167e-05%)
linmin: converged after 3 iterations.
iteration 141: trace = 2.41271229751497 (6.16418e-05% change)
linmin: converged after 4 iterations.
iteration 142: trace = 2.412711741099932 (2.30618e-05% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.412711423071571 (1.31814e-05% change)
large trace change predicted (3.65187e-05%)
linmin: converged after 5 iterations.
iteration 144: trace = 2.412710541789183 (3.65266e-05% change)
linmin: converged after 3 iterations.
iteration 145: trace = 2.412709985002305 (2.30772e-05% change)
linmin: converged after 3 iterations.
iteration 146: trace = 2.412709329303678 (2.71769e-05% change)
large trace change predicted (5.48992e-05%)
linmin: converged after 3 iterations.
iteration 147: trace = 2.412708003504688 (5.49506e-05% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.412707723343185 (1.16119e-05% change)
large trace change predicted (2.45696e-05%)
linmin: converged after 3 iterations.
iteration 149: trace = 2.412707130431694 (2.45745e-05% change)
linmin: converged after 3 iterations.
iteration 150: trace = 2.412706104507434 (4.25217e-05% change)
linmin: converged after 4 iterations.
iteration 151: trace = 2.41270578257981 (1.3343e-05% change)
large trace change predicted (4.36018e-05%)
linmin: converged after 3 iterations.
iteration 152: trace = 2.412704729568492 (4.36444e-05% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.412704027168191 (2.91126e-05% change)
linmin: converged after 5 iterations.
iteration 154: trace = 2.412703564676231 (1.9169e-05% change)
large trace change predicted (3.84611e-05%)
linmin: converged after 3 iterations.
iteration 155: trace = 2.412702635974135 (3.84922e-05% change)
linmin: converged after 3 iterations.
iteration 156: trace = 2.412701345066634 (5.35046e-05% change)
linmin: converged after 4 iterations.
iteration 157: trace = 2.412700860504454 (2.00838e-05% change)
large trace change predicted (5.76405e-05%)
linmin: converged after 3 iterations.
iteration 158: trace = 2.412699467770541 (5.77251e-05% change)
linmin: converged after 9 iterations.
iteration 159: trace = 2.412698212583795 (5.20242e-05% change)
linmin: converged after 5 iterations.
iteration 160: trace = 2.412697418810282 (3.28998e-05% change)
linmin: converged after 3 iterations.
iteration 161: trace = 2.41269628746893 (4.68912e-05% change)
linmin: converged after 3 iterations.
iteration 162: trace = 2.412695386092381 (3.73597e-05% change)
linmin: converged after 16 iterations.
iteration 163: trace = 2.412694301606301 (4.49492e-05% change)
linmin: converged after 3 iterations.
iteration 164: trace = 2.412693066959875 (5.11729e-05% change)
linmin: converged after 4 iterations.
iteration 165: trace = 2.412692869673331 (8.17703e-06% change)
linmin: converged after 3 iterations.
iteration 166: trace = 2.412692596909532 (1.13054e-05% change)
linmin: converged after 4 iterations.
iteration 167: trace = 2.412692065814359 (2.20126e-05% change)
linmin: converged after 3 iterations.
iteration 168: trace = 2.412691967952765 (4.05612e-06% change)
large trace change predicted (1.25534e-05%)
linmin: converged after 4 iterations.
iteration 169: trace = 2.412691664903453 (1.25606e-05% change)
linmin: converged after 3 iterations.
iteration 170: trace = 2.41269151882399 (6.05463e-06% change)
linmin: converged after 3 iterations.
iteration 171: trace = 2.412691323497366 (8.0958e-06% change)
linmin: converged after 4 iterations.
iteration 172: trace = 2.412691061031412 (1.08786e-05% change)
linmin: converged after 3 iterations.
iteration 173: trace = 2.412690852587638 (8.63947e-06% change)
large trace change predicted (1.90433e-05%)
linmin: converged after 4 iterations.
iteration 174: trace = 2.412690393063385 (1.90461e-05% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.412689480174599 (3.7837e-05% change)
linmin: converged after 3 iterations.
iteration 176: trace = 2.412689257332663 (9.23625e-06% change)
large trace change predicted (2.93612e-05%)
linmin: converged after 4 iterations.
iteration 177: trace = 2.412688548625352 (2.93742e-05% change)
linmin: converged after 7 iterations.
iteration 178: trace = 2.412688113949724 (1.80162e-05% change)
linmin: converged after 3 iterations.
iteration 179: trace = 2.412687759144954 (1.47058e-05% change)
large trace change predicted (6.13178e-05%)
linmin: converged after 3 iterations.
iteration 180: trace = 2.412686278666822 (6.13622e-05% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.412685892468328 (1.6007e-05% change)
large trace change predicted (4.40884e-05%)
linmin: converged after 3 iterations.
iteration 182: trace = 2.412684828285347 (4.41078e-05% change)
linmin: converged after 3 iterations.
iteration 183: trace = 2.412683959661672 (3.60024e-05% change)
linmin: converged after 16 iterations.
iteration 184: trace = 2.41268362907374 (1.37021e-05% change)
large trace change predicted (2.87517e-05%)
linmin: converged after 3 iterations.
iteration 185: trace = 2.412682934717816 (2.87794e-05% change)
linmin: converged after 3 iterations.
iteration 186: trace = 2.412682227654077 (2.93061e-05% change)
linmin: converged after 3 iterations.
iteration 187: trace = 2.412682000830988 (9.40128e-06% change)
large trace change predicted (2.73337e-05%)
linmin: converged after 3 iterations.
iteration 188: trace = 2.412681341333945 (2.73346e-05% change)
linmin: converged after 2 iterations.
iteration 189: trace = 2.412681249453636 (3.80822e-06% change)
linmin: converged after 3 iterations.
iteration 190: trace = 2.412681126250548 (5.10648e-06% change)
large trace change predicted (1.11581e-05%)
linmin: converged after 3 iterations.
iteration 191: trace = 2.412680857010287 (1.11594e-05% change)
linmin: converged after 3 iterations.
iteration 192: trace = 2.412680817362095 (1.64333e-06% change)
large trace change predicted (1.20263e-05%)
linmin: converged after 7 iterations.
iteration 193: trace = 2.412680527223247 (1.20256e-05% change)
linmin: converged after 4 iterations.
iteration 194: trace = 2.412680393907443 (5.52563e-06% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.412680280417886 (4.70388e-06% change)
large trace change predicted (1.80685e-05%)
linmin: converged after 3 iterations.
iteration 196: trace = 2.412679844581648 (1.80644e-05% change)
linmin: converged after 4 iterations.
iteration 197: trace = 2.412679498525944 (1.43432e-05% change)
linmin: converged after 3 iterations.
iteration 198: trace = 2.412679148816449 (1.44947e-05% change)
large trace change predicted (6.21807e-05%)
linmin: converged after 3 iterations.
iteration 199: trace = 2.412677648108339 (6.22009e-05% change)
linmin: converged after 3 iterations.
iteration 200: trace = 2.412677368423382 (1.15923e-05% change)
large trace change predicted (5.13172e-05%)
linmin: converged after 3 iterations.
iteration 201: trace = 2.412676129895467 (5.13342e-05% change)
linmin: converged after 4 iterations.
iteration 202: trace = 2.412675255324041 (3.6249e-05% change)
linmin: converged after 5 iterations.
iteration 203: trace = 2.412674857623696 (1.64838e-05% change)
large trace change predicted (5.07416e-05%)
linmin: converged after 3 iterations.
iteration 204: trace = 2.412673633269721 (5.07468e-05% change)
linmin: converged after 3 iterations.
iteration 205: trace = 2.412673233810707 (1.65567e-05% change)
linmin: converged after 4 iterations.
iteration 206: trace = 2.412672620441537 (2.54228e-05% change)
linmin: converged after 3 iterations.
iteration 207: trace = 2.41267212468961 (2.05478e-05% change)
linmin: converged after 15 iterations.
iteration 208: trace = 2.412671819520183 (1.26486e-05% change)
large trace change predicted (3.39637e-05%)
linmin: converged after 3 iterations.
iteration 209: trace = 2.412671000128994 (3.3962e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 2.412670635038857 (1.51322e-05% change)
linmin: converged after 5 iterations.
iteration 211: trace = 2.412670523083993 (4.64029e-06% change)
large trace change predicted (1.04515e-05%)
linmin: converged after 4 iterations.
iteration 212: trace = 2.412670271047332 (1.04464e-05% change)
linmin: converged after 3 iterations.
iteration 213: trace = 2.412670053721547 (9.00769e-06% change)
linmin: converged after 5 iterations.
iteration 214: trace = 2.412669936754242 (4.84804e-06% change)
large trace change predicted (1.68391e-05%)
linmin: converged after 4 iterations.
iteration 215: trace = 2.412669530553186 (1.68362e-05% change)
linmin: converged after 4 iterations.
iteration 216: trace = 2.412669438237494 (3.82629e-06% change)
large trace change predicted (9.47496e-06%)
linmin: converged after 3 iterations.
iteration 217: trace = 2.412669209609661 (9.47614e-06% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.412668914756718 (1.2221e-05% change)
linmin: converged after 4 iterations.
iteration 219: trace = 2.412668820510233 (3.90632e-06% change)
large trace change predicted (1.25473e-05%)
linmin: converged after 23 iterations.
iteration 220: trace = 2.412668517790209 (1.25471e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.412668212066454 (1.26716e-05% change)
linmin: converged after 4 iterations.
iteration 222: trace = 2.412668105349921 (4.42317e-06% change)
large trace change predicted (9.06687e-06%)
linmin: converged after 4 iterations.
iteration 223: trace = 2.412667886535738 (9.06939e-06% change)
linmin: converged after 3 iterations.
iteration 224: trace = 2.412667551571672 (1.38836e-05% change)
linmin: converged after 5 iterations.
iteration 225: trace = 2.412667418317509 (5.52311e-06% change)
large trace change predicted (1.77248e-05%)
linmin: converged after 3 iterations.
iteration 226: trace = 2.412666990673851 (1.77249e-05% change)
linmin: converged after 3 iterations.
iteration 227: trace = 2.412666776970278 (8.85757e-06% change)
linmin: converged after 5 iterations.
iteration 228: trace = 2.412666431262663 (1.43289e-05% change)
linmin: converged after 3 iterations.
iteration 229: trace = 2.412666125812491 (1.26603e-05% change)
linmin: converged after 3 iterations.
iteration 230: trace = 2.412665851676855 (1.13624e-05% change)
linmin: converged after 5 iterations.
iteration 231: trace = 2.412665377691057 (1.96457e-05% change)
linmin: converged after 4 iterations.
iteration 232: trace = 2.412664779517022 (2.47931e-05% change)
linmin: converged after 19 iterations.
iteration 233: trace = 2.412664678921302 (4.16949e-06% change)
large trace change predicted (8.35371e-06%)
linmin: converged after 3 iterations.
iteration 234: trace = 2.412664477366697 (8.35403e-06% change)
linmin: converged after 17 iterations.
iteration 235: trace = 2.412664310952648 (6.89752e-06% change)
linmin: converged after 4 iterations.
iteration 236: trace = 2.412664249100853 (2.56363e-06% change)
linmin: converged after 3 iterations.
iteration 237: trace = 2.412664165169105 (3.4788e-06% change)
linmin: converged after 13 iterations.
iteration 238: trace = 2.412664016321722 (6.16942e-06% change)
linmin: converged after 13 iterations.
iteration 239: trace = 2.412663996352473 (8.27685e-07% change)
large trace change predicted (4.26442e-06%)
linmin: converged after 4 iterations.
iteration 240: trace = 2.41266389347136 (4.26421e-06% change)
linmin: converged after 5 iterations.
iteration 241: trace = 2.412663778283752 (4.77429e-06% change)
linmin: converged after 4 iterations.
iteration 242: trace = 2.412663722755496 (2.30153e-06% change)
large trace change predicted (1.0114e-05%)
linmin: converged after 7 iterations.
iteration 243: trace = 2.412663478869021 (1.01086e-05% change)
linmin: converged after 5 iterations.
iteration 244: trace = 2.41266317212621 (1.27139e-05% change)
linmin: converged after 6 iterations.
iteration 245: trace = 2.41266297506366 (8.16784e-06% change)
linmin: converged after 3 iterations.
iteration 246: trace = 2.41266271685295 (1.07023e-05% change)
linmin: converged after 5 iterations.
iteration 247: trace = 2.412662461733278 (1.05742e-05% change)
linmin: converged after 18 iterations.
iteration 248: trace = 2.412662228422914 (9.67025e-06% change)
linmin: converged after 4 iterations.
iteration 249: trace = 2.412661773182021 (1.88688e-05% change)
linmin: converged after 3 iterations.
iteration 250: trace = 2.412661637750159 (5.61338e-06% change)
large trace change predicted (2.26682e-05%)
linmin: converged after 24 iterations.
iteration 251: trace = 2.412661091485077 (2.26416e-05% change)
linmin: converged after 7 iterations.
iteration 252: trace = 2.412660438716966 (2.70559e-05% change)
linmin: converged after 5 iterations.
iteration 253: trace = 2.412660310164648 (5.32824e-06% change)
linmin: converged after 4 iterations.
iteration 254: trace = 2.412660085800419 (9.29945e-06% change)
linmin: converged after 4 iterations.
iteration 255: trace = 2.412659729610447 (1.47634e-05% change)
linmin: converged after 5 iterations.
iteration 256: trace = 2.412659683191008 (1.92399e-06% change)
large trace change predicted (1.0624e-05%)
linmin: converged after 3 iterations.
iteration 257: trace = 2.412659426946115 (1.06208e-05% change)
linmin: converged after 4 iterations.
iteration 258: trace = 2.412659371642552 (2.29222e-06% change)
linmin: converged after 3 iterations.
iteration 259: trace = 2.412659310609675 (2.52969e-06% change)
large trace change predicted (5.13713e-06%)
linmin: converged after 5 iterations.
iteration 260: trace = 2.412659186680136 (5.13664e-06% change)
linmin: converged after 12 iterations.
iteration 261: trace = 2.412659125243518 (2.54643e-06% change)
linmin: converged after 2 iterations.
iteration 262: trace = 2.412659033305007 (3.81067e-06% change)
large trace change predicted (9.87101e-06%)
linmin: converged after 5 iterations.
iteration 263: trace = 2.412658795202499 (9.86888e-06% change)
linmin: converged after 3 iterations.
iteration 264: trace = 2.412658738680189 (2.34274e-06% change)
large trace change predicted (8.80589e-06%)
linmin: converged after 2 iterations.
iteration 265: trace = 2.412658526220048 (8.80606e-06% change)
linmin: converged after 3 iterations.
iteration 266: trace = 2.412658132254595 (1.63291e-05% change)
linmin: converged after 3 iterations.
iteration 267: trace = 2.412658017236789 (4.76727e-06% change)
large trace change predicted (3.84844e-05%)
linmin: converged after 4 iterations.
iteration 268: trace = 2.412657088640636 (3.84885e-05% change)
linmin: converged after 3 iterations.
iteration 269: trace = 2.412656325874492 (3.16152e-05% change)
linmin: converged after 10 iterations.
iteration 270: trace = 2.412655894103643 (1.78961e-05% change)
linmin: converged after 3 iterations.
iteration 271: trace = 2.412655342648407 (2.28568e-05% change)
linmin: converged after 7 iterations.
iteration 272: trace = 2.412654787288747 (2.30186e-05% change)
linmin: converged after 3 iterations.
iteration 273: trace = 2.412654510433383 (1.14751e-05% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.412654095695024 (1.71901e-05% change)
linmin: converged after 4 iterations.
iteration 275: trace = 2.412653995943947 (4.1345e-06% change)
large trace change predicted (1.38231e-05%)
linmin: converged after 2 iterations.
iteration 276: trace = 2.412653662440402 (1.38231e-05% change)
linmin: converged after 3 iterations.
iteration 277: trace = 2.412653369848869 (1.21274e-05% change)
linmin: converged after 4 iterations.
iteration 278: trace = 2.412653158593952 (8.75612e-06% change)
large trace change predicted (1.76163e-05%)
linmin: converged after 3 iterations.
iteration 279: trace = 2.412652733207408 (1.76315e-05% change)
resetting CG direction...
linmin: converged after 14 iterations.
iteration 280: trace = 2.41265247281537 (1.07928e-05% change)
linmin: converged after 3 iterations.
iteration 281: trace = 2.412652382530291 (3.74215e-06% change)
linmin: converged after 3 iterations.
iteration 282: trace = 2.412652272545112 (4.55868e-06% change)
linmin: converged after 4 iterations.
iteration 283: trace = 2.412652153279442 (4.94334e-06% change)
linmin: converged after 3 iterations.
iteration 284: trace = 2.412652069064122 (3.49057e-06% change)
large trace change predicted (7.44781e-06%)
linmin: converged after 3 iterations.
iteration 285: trace = 2.412651889353411 (7.44868e-06% change)
linmin: converged after 5 iterations.
iteration 286: trace = 2.412651807950601 (3.374e-06% change)
large trace change predicted (8.55983e-06%)
linmin: converged after 5 iterations.
iteration 287: trace = 2.412651601399093 (8.56118e-06% change)
linmin: converged after 3 iterations.
iteration 288: trace = 2.41265134776607 (1.05126e-05% change)
linmin: converged after 6 iterations.
iteration 289: trace = 2.412651210576856 (5.68624e-06% change)
large trace change predicted (2.11423e-05%)
linmin: converged after 5 iterations.
iteration 290: trace = 2.412650700452094 (2.11437e-05% change)
linmin: converged after 4 iterations.
iteration 291: trace = 2.412650186182307 (2.13156e-05% change)
linmin: converged after 4 iterations.
iteration 292: trace = 2.412650005642272 (7.48306e-06% change)
linmin: converged after 4 iterations.
iteration 293: trace = 2.41264964732795 (1.48515e-05% change)
linmin: converged after 3 iterations.
iteration 294: trace = 2.412649281319745 (1.51704e-05% change)
linmin: converged after 23 iterations.
iteration 295: trace = 2.412649107305584 (7.21258e-06% change)
large trace change predicted (1.4932e-05%)
linmin: converged after 3 iterations.
iteration 296: trace = 2.412648746990333 (1.49344e-05% change)
linmin: converged after 3 iterations.
iteration 297: trace = 2.41264861779442 (5.35494e-06% change)
linmin: converged after 7 iterations.
iteration 298: trace = 2.4126484945826 (5.10691e-06% change)
linmin: converged after 17 iterations.
iteration 299: trace = 2.412648328066993 (6.90178e-06% change)
linmin: converged after 5 iterations.
iteration 300: trace = 2.412648230735793 (4.03421e-06% change)
linmin: converged after 3 iterations.
iteration 301: trace = 2.412648147144485 (3.46471e-06% change)
large trace change predicted (7.7728e-06%)
linmin: converged after 3 iterations.
iteration 302: trace = 2.412647959596917 (7.77352e-06% change)
linmin: converged after 4 iterations.
iteration 303: trace = 2.412647933716113 (1.07271e-06% change)
large trace change predicted (6.04568e-06%)
linmin: converged after 4 iterations.
iteration 304: trace = 2.412647787829529 (6.04674e-06% change)
linmin: converged after 3 iterations.
iteration 305: trace = 2.412647721862858 (2.7342e-06% change)
linmin: converged after 3 iterations.
iteration 306: trace = 2.412647698379908 (9.73327e-07% change)
large trace change predicted (5.64425e-06%)
linmin: converged after 3 iterations.
iteration 307: trace = 2.412647562163547 (5.64593e-06% change)
linmin: converged after 3 iterations.
iteration 308: trace = 2.412647475723582 (3.58278e-06% change)
linmin: converged after 4 iterations.
iteration 309: trace = 2.412647438026662 (1.56247e-06% change)
linmin: converged after 3 iterations.
iteration 310: trace = 2.41264738609407 (2.15251e-06% change)
linmin: converged after 5 iterations.
iteration 311: trace = 2.412647290849673 (3.94771e-06% change)
linmin: converged after 3 iterations.
iteration 312: trace = 2.412647253081221 (1.56544e-06% change)
large trace change predicted (7.42294e-06%)
linmin: converged after 3 iterations.
iteration 313: trace = 2.412647073914257 (7.42616e-06% change)
linmin: converged after 3 iterations.
iteration 314: trace = 2.412646885328721 (7.81654e-06% change)
linmin: converged after 3 iterations.
iteration 315: trace = 2.412646663343649 (9.20089e-06% change)
linmin: converged after 3 iterations.
iteration 316: trace = 2.412646318151616 (1.43076e-05% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.412646214127668 (4.31161e-06% change)
linmin: converged after 4 iterations.
iteration 318: trace = 2.412646067344193 (6.08392e-06% change)
linmin: converged after 3 iterations.
iteration 319: trace = 2.41264583575738 (9.59887e-06% change)
linmin: converged after 4 iterations.
iteration 320: trace = 2.412645804224127 (1.307e-06% change)
large trace change predicted (7.61745e-06%)
linmin: converged after 4 iterations.
iteration 321: trace = 2.412645620375904 (7.62019e-06% change)
linmin: converged after 4 iterations.
iteration 322: trace = 2.41264552950055 (3.76663e-06% change)
linmin: converged after 3 iterations.
iteration 323: trace = 2.412645495391833 (1.41375e-06% change)
large trace change predicted (3.06828e-06%)
linmin: converged after 3 iterations.
iteration 324: trace = 2.412645421363155 (3.06836e-06% change)
linmin: converged after 4 iterations.
iteration 325: trace = 2.412645342340803 (3.27534e-06% change)
linmin: converged after 3 iterations.
iteration 326: trace = 2.41264532264753 (8.16252e-07% change)
large trace change predicted (4.32694e-06%)
linmin: converged after 3 iterations.
iteration 327: trace = 2.412645218238689 (4.32757e-06% change)
linmin: converged after 7 iterations.
iteration 328: trace = 2.412645185232851 (1.36804e-06% change)
linmin: converged after 3 iterations.
iteration 329: trace = 2.412645152284258 (1.36566e-06% change)
linmin: converged after 13 iterations.
iteration 330: trace = 2.412645099922987 (2.17028e-06% change)
linmin: converged after 5 iterations.
iteration 331: trace = 2.412645076791193 (9.58773e-07% change)
large trace change predicted (2.98895e-06%)
linmin: converged after 4 iterations.
iteration 332: trace = 2.412645004685459 (2.98866e-06% change)
linmin: converged after 3 iterations.
iteration 333: trace = 2.412644884110045 (4.99764e-06% change)
linmin: converged after 3 iterations.
iteration 334: trace = 2.412644834105687 (2.0726e-06% change)
large trace change predicted (6.6527e-06%)
linmin: converged after 3 iterations.
iteration 335: trace = 2.412644673589769 (6.65311e-06% change)
linmin: converged after 5 iterations.
iteration 336: trace = 2.41264452848114 (6.0145e-06% change)
linmin: converged after 4 iterations.
iteration 337: trace = 2.41264445678108 (2.97185e-06% change)
large trace change predicted (1.39576e-05%)
linmin: converged after 3 iterations.
iteration 338: trace = 2.4126441200145 (1.39584e-05% change)
linmin: converged after 3 iterations.
iteration 339: trace = 2.412643800907788 (1.32264e-05% change)
linmin: converged after 4 iterations.
iteration 340: trace = 2.412643706491794 (3.91338e-06% change)
large trace change predicted (8.6777e-06%)
linmin: converged after 3 iterations.
iteration 341: trace = 2.412643497094058 (8.67918e-06% change)
linmin: converged after 3 iterations.
iteration 342: trace = 2.412643395308863 (4.21882e-06% change)
linmin: converged after 3 iterations.
iteration 343: trace = 2.412643322490218 (3.01821e-06% change)
large trace change predicted (6.51432e-06%)
linmin: converged after 3 iterations.
iteration 344: trace = 2.412643165327341 (6.51414e-06% change)
linmin: converged after 3 iterations.
iteration 345: trace = 2.412643147370928 (7.44263e-07% change)
large trace change predicted (2.9329e-06%)
linmin: converged after 4 iterations.
iteration 346: trace = 2.412643076620209 (2.9325e-06% change)
linmin: converged after 3 iterations.
iteration 347: trace = 2.412643019204381 (2.37979e-06% change)
linmin: converged after 6 iterations.
iteration 348: trace = 2.412643001179429 (7.47104e-07% change)
large trace change predicted (3.47784e-06%)
linmin: converged after 14 iterations.
iteration 349: trace = 2.412642917281606 (3.47742e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 350: trace = 2.412642860814064 (2.34048e-06% change)
linmin: converged after 4 iterations.
iteration 351: trace = 2.4126428466326 (5.87798e-07% change)
large trace change predicted (1.85754e-06%)
linmin: converged after 3 iterations.
iteration 352: trace = 2.412642801821691 (1.85734e-06% change)
linmin: converged after 2 iterations.
iteration 353: trace = 2.412642759873036 (1.7387e-06% change)
linmin: converged after 3 iterations.
iteration 354: trace = 2.412642745167841 (6.09506e-07% change)
large trace change predicted (4.8191e-06%)
linmin: converged after 14 iterations.
iteration 355: trace = 2.412642628896069 (4.81927e-06% change)
linmin: converged after 3 iterations.
iteration 356: trace = 2.412642590783856 (1.57969e-06% change)
large trace change predicted (4.07934e-06%)
linmin: converged after 4 iterations.
iteration 357: trace = 2.412642492332208 (4.08066e-06% change)
linmin: converged after 4 iterations.
iteration 358: trace = 2.412642373403223 (4.92941e-06% change)
linmin: converged after 4 iterations.
iteration 359: trace = 2.412642326373659 (1.9493e-06% change)
large trace change predicted (8.97879e-06%)
linmin: converged after 4 iterations.
iteration 360: trace = 2.412642109757285 (8.97839e-06% change)
linmin: converged after 17 iterations.
iteration 361: trace = 2.412641927747216 (7.54401e-06% change)
linmin: converged after 5 iterations.
iteration 362: trace = 2.412641826412623 (4.20015e-06% change)
linmin: converged after 6 iterations.
iteration 363: trace = 2.412641665571785 (6.66659e-06% change)
linmin: converged after 5 iterations.
iteration 364: trace = 2.412641550509427 (4.76914e-06% change)
linmin: converged after 4 iterations.
iteration 365: trace = 2.412641493264817 (2.37269e-06% change)
large trace change predicted (4.75837e-06%)
linmin: converged after 24 iterations.
iteration 366: trace = 2.412641378467331 (4.75817e-06% change)
linmin: converged after 2 iterations.
iteration 367: trace = 2.412641347494812 (1.28376e-06% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.412641300585301 (1.94432e-06% change)
linmin: converged after 4 iterations.
iteration 369: trace = 2.412641258766916 (1.7333e-06% change)
linmin: converged after 3 iterations.
iteration 370: trace = 2.412641211920094 (1.94172e-06% change)
linmin: converged after 3 iterations.
iteration 371: trace = 2.412641198268954 (5.65817e-07% change)
large trace change predicted (2.9775e-06%)
linmin: converged after 4 iterations.
iteration 372: trace = 2.412641126436468 (2.97734e-06% change)
linmin: converged after 4 iterations.
iteration 373: trace = 2.412641114033097 (5.14099e-07% change)
large trace change predicted (2.09934e-06%)
linmin: converged after 22 iterations.
iteration 374: trace = 2.412641063385723 (2.09925e-06% change)
linmin: converged after 4 iterations.
iteration 375: trace = 2.41264102127427 (1.74545e-06% change)
linmin: converged after 3 iterations.
iteration 376: trace = 2.412640986664866 (1.4345e-06% change)
linmin: converged after 14 iterations.
iteration 377: trace = 2.412640955207891 (1.30384e-06% change)
large trace change predicted (3.37431e-06%)
linmin: converged after 3 iterations.
iteration 378: trace = 2.412640873816279 (3.37355e-06% change)
linmin: converged after 3 iterations.
iteration 379: trace = 2.41264085548483 (7.59808e-07% change)
large trace change predicted (3.97488e-06%)
linmin: converged after 3 iterations.
iteration 380: trace = 2.412640759608501 (3.97392e-06% change)
linmin: converged after 3 iterations.
iteration 381: trace = 2.412640671475462 (3.65297e-06% change)
linmin: converged after 3 iterations.
iteration 382: trace = 2.412640608200674 (2.62264e-06% change)
large trace change predicted (8.67062e-06%)
linmin: converged after 8 iterations.
iteration 383: trace = 2.41264039919422 (8.66298e-06% change)
linmin: converged after 3 iterations.
iteration 384: trace = 2.41264019909772 (8.29367e-06% change)
linmin: converged after 3 iterations.
iteration 385: trace = 2.412640128006184 (2.94663e-06% change)
linmin: converged after 3 iterations.
iteration 386: trace = 2.412640001639197 (5.23771e-06% change)
linmin: converged after 3 iterations.
iteration 387: trace = 2.412639924331287 (3.20429e-06% change)
linmin: converged after 2 iterations.
iteration 388: trace = 2.412639886110255 (1.5842e-06% change)
large trace change predicted (3.84595e-06%)
linmin: converged after 4 iterations.
iteration 389: trace = 2.412639793340888 (3.84514e-06% change)
linmin: converged after 3 iterations.
iteration 390: trace = 2.412639747643779 (1.89407e-06% change)
linmin: converged after 3 iterations.
iteration 391: trace = 2.412639707895823 (1.64749e-06% change)
linmin: converged after 5 iterations.
iteration 392: trace = 2.4126396322545 (3.13521e-06% change)
linmin: converged after 11 iterations.
iteration 393: trace = 2.412639615539385 (6.92814e-07% change)
large trace change predicted (1.57425e-06%)
linmin: converged after 5 iterations.
iteration 394: trace = 2.412639577561713 (1.57411e-06% change)
linmin: converged after 4 iterations.
iteration 395: trace = 2.412639520283287 (2.3741e-06% change)
linmin: converged after 3 iterations.
iteration 396: trace = 2.412639510882351 (3.89654e-07% change)
large trace change predicted (3.27357e-06%)
linmin: converged after 3 iterations.
iteration 397: trace = 2.412639431909297 (3.27331e-06% change)
linmin: converged after 4 iterations.
iteration 398: trace = 2.412639406681856 (1.04564e-06% change)
linmin: converged after 2 iterations.
iteration 399: trace = 2.412639373387683 (1.37999e-06% change)
large trace change predicted (2.78365e-06%)
linmin: converged after 3 iterations.
iteration 400: trace = 2.41263930622236 (2.78389e-06% change)
linmin: converged after 3 iterations.
iteration 401: trace = 2.41263926222349 (1.82368e-06% change)
linmin: converged after 8 iterations.
iteration 402: trace = 2.412639206480723 (2.31045e-06% change)
large trace change predicted (5.86802e-06%)
linmin: converged after 3 iterations.
iteration 403: trace = 2.412639064897671 (5.86839e-06% change)
linmin: converged after 6 iterations.
iteration 404: trace = 2.412639033928283 (1.28363e-06% change)
large trace change predicted (1.07094e-05%)
linmin: converged after 3 iterations.
iteration 405: trace = 2.41263877556923 (1.07086e-05% change)
linmin: converged after 3 iterations.
iteration 406: trace = 2.412638628753053 (6.08529e-06% change)
linmin: converged after 3 iterations.
iteration 407: trace = 2.412638525914129 (4.26251e-06% change)
large trace change predicted (1.13211e-05%)
linmin: converged after 4 iterations.
iteration 408: trace = 2.412638252752962 (1.13221e-05% change)
linmin: converged after 3 iterations.
iteration 409: trace = 2.412638016072187 (9.81004e-06% change)
linmin: converged after 3 iterations.
iteration 410: trace = 2.412637947765857 (2.83119e-06% change)
linmin: converged after 3 iterations.
iteration 411: trace = 2.412637835896647 (4.6368e-06% change)
linmin: converged after 4 iterations.
iteration 412: trace = 2.412637777611123 (2.41584e-06% change)
linmin: converged after 5 iterations.
iteration 413: trace = 2.412637743025151 (1.43353e-06% change)
large trace change predicted (2.96883e-06%)
linmin: converged after 3 iterations.
iteration 414: trace = 2.412637671396636 (2.96889e-06% change)
linmin: converged after 4 iterations.
iteration 415: trace = 2.412637652685788 (7.75535e-07% change)
large trace change predicted (1.67606e-06%)
linmin: converged after 2 iterations.
iteration 416: trace = 2.412637612247869 (1.67609e-06% change)
linmin: converged after 2 iterations.
iteration 417: trace = 2.412637561461501 (2.10501e-06% change)
linmin: converged after 3 iterations.
iteration 418: trace = 2.412637538178108 (9.6506e-07% change)
large trace change predicted (2.09449e-06%)
linmin: converged after 2 iterations.
iteration 419: trace = 2.412637487645316 (2.0945e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 420: trace = 2.412637441782021 (1.90096e-06% change)
linmin: converged after 19 iterations.
iteration 421: trace = 2.41263742207711 (8.16737e-07% change)
large trace change predicted (1.83148e-06%)
linmin: converged after 3 iterations.
iteration 422: trace = 2.412637377890678 (1.83146e-06% change)
linmin: converged after 2 iterations.
iteration 423: trace = 2.412637336676159 (1.70828e-06% change)
linmin: converged after 3 iterations.
iteration 424: trace = 2.4126373204275 (6.73481e-07% change)
large trace change predicted (2.60235e-06%)
linmin: converged after 2 iterations.
iteration 425: trace = 2.412637257641774 (2.60237e-06% change)
linmin: converged after 3 iterations.
iteration 426: trace = 2.412637215579251 (1.74343e-06% change)
linmin: converged after 2 iterations.
iteration 427: trace = 2.412637178234246 (1.54789e-06% change)
large trace change predicted (3.8197e-06%)
linmin: converged after 4 iterations.
iteration 428: trace = 2.412637086076163 (3.81981e-06% change)
linmin: converged after 3 iterations.
iteration 429: trace = 2.412637012246496 (3.06012e-06% change)
large trace change predicted (6.57945e-06%)
linmin: converged after 4 iterations.
iteration 430: trace = 2.41263685350838 (6.57944e-06% change)
linmin: converged after 3 iterations.
iteration 431: trace = 2.412636622479167 (9.5758e-06% change)
linmin: converged after 3 iterations.
iteration 432: trace = 2.412636555197012 (2.78874e-06% change)
linmin: converged after 5 iterations.
iteration 433: trace = 2.412636466973223 (3.65674e-06% change)
large trace change predicted (7.39679e-06%)
linmin: converged after 3 iterations.
iteration 434: trace = 2.412636288454161 (7.39934e-06% change)
linmin: converged after 3 iterations.
iteration 435: trace = 2.41263626488539 (9.76889e-07% change)
large trace change predicted (3.91073e-06%)
linmin: converged after 3 iterations.
iteration 436: trace = 2.4126361705212 (3.91125e-06% change)
linmin: converged after 3 iterations.
iteration 437: trace = 2.412636134789171 (1.48104e-06% change)
linmin: converged after 4 iterations.
iteration 438: trace = 2.412636110007766 (1.02715e-06% change)
linmin: converged after 9 iterations.
iteration 439: trace = 2.412636071751146 (1.58568e-06% change)
linmin: converged after 31 iterations.
iteration 440: trace = 2.412636039109053 (1.35296e-06% change)
linmin: converged after 3 iterations.
iteration 441: trace = 2.412636027007419 (5.01594e-07% change)
large trace change predicted (1.92849e-06%)
linmin: converged after 4 iterations.
iteration 442: trace = 2.412635980474882 (1.9287e-06% change)
linmin: converged after 18 iterations.
iteration 443: trace = 2.412635969967932 (4.35497e-07% change)
linmin: converged after 22 iterations.
iteration 444: trace = 2.412635953132072 (6.9782e-07% change)
large trace change predicted (1.71894e-06%)
linmin: converged after 3 iterations.
iteration 445: trace = 2.412635911653299 (1.71923e-06% change)
linmin: converged after 6 iterations.
iteration 446: trace = 2.412635887970593 (9.81611e-07% change)
linmin: converged after 3 iterations.
iteration 447: trace = 2.412635853330581 (1.43577e-06% change)
linmin: converged after 28 iterations.
iteration 448: trace = 2.412635819218591 (1.41389e-06% change)
linmin: converged after 4 iterations.
iteration 449: trace = 2.41263579128726 (1.15771e-06% change)
linmin: converged after 3 iterations.
iteration 450: trace = 2.412635767594516 (9.82027e-07% change)
large trace change predicted (2.44905e-06%)
linmin: converged after 3 iterations.
iteration 451: trace = 2.412635708495891 (2.44955e-06% change)
linmin: converged after 3 iterations.
iteration 452: trace = 2.412635681818879 (1.10572e-06% change)
large trace change predicted (2.96295e-06%)
linmin: converged after 3 iterations.
iteration 453: trace = 2.412635610308005 (2.96401e-06% change)
linmin: converged after 3 iterations.
iteration 454: trace = 2.412635491501598 (4.92434e-06% change)
linmin: converged after 3 iterations.
iteration 455: trace = 2.412635469435086 (9.14623e-07% change)
large trace change predicted (5.20183e-06%)
linmin: converged after 3 iterations.
iteration 456: trace = 2.412635343835833 (5.20589e-06% change)
linmin: converged after 3 iterations.
iteration 457: trace = 2.412635286484016 (2.37714e-06% change)
linmin: converged after 3 iterations.
iteration 458: trace = 2.412635269603972 (6.99652e-07% change)
large trace change predicted (3.02647e-06%)
linmin: converged after 5 iterations.
iteration 459: trace = 2.412635196560519 (3.02754e-06% change)
linmin: converged after 3 iterations.
iteration 460: trace = 2.412635172238826 (1.0081e-06% change)
linmin: converged after 8 iterations.
iteration 461: trace = 2.412635154385368 (7.39998e-07% change)
linmin: converged after 3 iterations.
iteration 462: trace = 2.412635131292329 (9.57171e-07% change)
linmin: converged after 3 iterations.
iteration 463: trace = 2.412635108744785 (9.34561e-07% change)
linmin: converged after 16 iterations.
iteration 464: trace = 2.412635101743762 (2.90182e-07% change)
large trace change predicted (1.16654e-06%)
linmin: converged after 3 iterations.
iteration 465: trace = 2.412635073596187 (1.16667e-06% change)
linmin: converged after 4 iterations.
iteration 466: trace = 2.412635058993712 (6.0525e-07% change)
linmin: converged after 3 iterations.
iteration 467: trace = 2.412635037158811 (9.05023e-07% change)
linmin: converged after 3 iterations.
iteration 468: trace = 2.412635024141069 (5.39565e-07% change)
linmin: converged after 30 iterations.
iteration 469: trace = 2.412635008142534 (6.63115e-07% change)
linmin: converged after 3 iterations.
iteration 470: trace = 2.412634984460535 (9.81582e-07% change)
linmin: converged after 3 iterations.
iteration 471: trace = 2.412634956935237 (1.14088e-06% change)
linmin: converged after 10 iterations.
iteration 472: trace = 2.412634944192459 (5.28169e-07% change)
large trace change predicted (1.28668e-06%)
linmin: converged after 3 iterations.
iteration 473: trace = 2.412634913153267 (1.28653e-06% change)
linmin: converged after 3 iterations.
iteration 474: trace = 2.412634869708619 (1.80071e-06% change)
linmin: converged after 21 iterations.
iteration 475: trace = 2.412634848068069 (8.96967e-07% change)
large trace change predicted (3.46409e-06%)
linmin: converged after 3 iterations.
iteration 476: trace = 2.412634764505052 (3.46356e-06% change)
linmin: converged after 2 iterations.
iteration 477: trace = 2.41263471036239 (2.24413e-06% change)
linmin: converged after 10 iterations.
iteration 478: trace = 2.412634635393895 (3.10733e-06% change)
linmin: converged after 7 iterations.
iteration 479: trace = 2.412634534860379 (4.16696e-06% change)
linmin: converged after 7 iterations.
iteration 480: trace = 2.412634518482655 (6.78832e-07% change)
large trace change predicted (1.83934e-06%)
linmin: converged after 3 iterations.
iteration 481: trace = 2.412634474106985 (1.8393e-06% change)
linmin: converged after 3 iterations.
iteration 482: trace = 2.412634420821758 (2.20859e-06% change)
linmin: converged after 3 iterations.
iteration 483: trace = 2.412634409981919 (4.49295e-07% change)
large trace change predicted (1.56518e-06%)
linmin: converged after 4 iterations.
iteration 484: trace = 2.412634372224826 (1.56497e-06% change)
linmin: converged after 4 iterations.
iteration 485: trace = 2.412634355634417 (6.87647e-07% change)
linmin: converged after 3 iterations.
iteration 486: trace = 2.41263434750079 (3.37126e-07% change)
linmin: converged after 22 iterations.
iteration 487: trace = 2.412634334340625 (5.45469e-07% change)
linmin: converged after 3 iterations.
iteration 488: trace = 2.412634316078156 (7.56951e-07% change)
linmin: converged after 2 iterations.
iteration 489: trace = 2.412634307525388 (3.54499e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 490: trace = 2.412634299596417 (3.28644e-07% change)
linmin: converged after 3 iterations.
iteration 491: trace = 2.412634285055379 (6.02704e-07% change)
linmin: converged after 2 iterations.
iteration 492: trace = 2.412634272558073 (5.17994e-07% change)
linmin: converged after 7 iterations.
iteration 493: trace = 2.412634264646269 (3.27932e-07% change)
linmin: converged after 3 iterations.
iteration 494: trace = 2.412634250370039 (5.91728e-07% change)
large trace change predicted (1.31076e-06%)
linmin: converged after 3 iterations.
iteration 495: trace = 2.412634218743278 (1.31088e-06% change)
linmin: converged after 3 iterations.
iteration 496: trace = 2.412634203988838 (6.11549e-07% change)
large trace change predicted (1.8689e-06%)
linmin: converged after 2 iterations.
iteration 497: trace = 2.412634158897655 (1.86896e-06% change)
linmin: converged after 3 iterations.
iteration 498: trace = 2.412634138054461 (8.63919e-07% change)
linmin: converged after 3 iterations.
iteration 499: trace = 2.412634110026821 (1.1617e-06% change)
large trace change predicted (3.199e-06%)
linmin: converged after 25 iterations.
iteration 500: trace = 2.412634032844641 (3.19908e-06% change)
linmin: converged after 7 iterations.
iteration 501: trace = 2.412634006520998 (1.09107e-06% change)
large trace change predicted (2.95013e-06%)
linmin: converged after 3 iterations.
iteration 502: trace = 2.412633935348479 (2.94999e-06% change)
linmin: converged after 4 iterations.
iteration 503: trace = 2.412633879619551 (2.30988e-06% change)
linmin: converged after 3 iterations.
iteration 504: trace = 2.412633860587332 (7.88856e-07% change)
linmin: converged after 5 iterations.
iteration 505: trace = 2.412633825955091 (1.43545e-06% change)
linmin: converged after 4 iterations.
iteration 506: trace = 2.41263379510816 (1.27856e-06% change)
linmin: converged after 3 iterations.
iteration 507: trace = 2.412633788364843 (2.795e-07% change)
large trace change predicted (1.04193e-06%)
linmin: converged after 3 iterations.
iteration 508: trace = 2.412633763225779 (1.04198e-06% change)
linmin: converged after 11 iterations.
iteration 509: trace = 2.412633748457454 (6.12125e-07% change)
linmin: converged after 7 iterations.
iteration 510: trace = 2.412633739660458 (3.64622e-07% change)
linmin: converged after 8 iterations.
iteration 511: trace = 2.412633727964045 (4.84799e-07% change)
linmin: converged after 4 iterations.
iteration 512: trace = 2.412633706215134 (9.01459e-07% change)
linmin: converged after 36 iterations.
iteration 513: trace = 2.412633701674881 (1.88187e-07% change)
large trace change predicted (7.90887e-07%)
linmin: converged after 3 iterations.
iteration 514: trace = 2.4126336825949 (7.90836e-07% change)
linmin: converged after 26 iterations.
iteration 515: trace = 2.412633671110867 (4.75996e-07% change)
linmin: converged after 3 iterations.
iteration 516: trace = 2.412633664300462 (2.82281e-07% change)
large trace change predicted (8.04113e-07%)
linmin: converged after 3 iterations.
iteration 517: trace = 2.412633644902835 (8.04002e-07% change)
linmin: converged after 3 iterations.
iteration 518: trace = 2.41263361871153 (1.08559e-06% change)
linmin: converged after 18 iterations.
iteration 519: trace = 2.412633612469993 (2.58702e-07% change)
large trace change predicted (1.85648e-06%)
linmin: converged after 16 iterations.
iteration 520: trace = 2.412633567691794 (1.85599e-06% change)
linmin: converged after 18 iterations.
iteration 521: trace = 2.412633547023186 (8.56682e-07% change)
linmin: converged after 30 iterations.
iteration 522: trace = 2.41263352762141 (8.04174e-07% change)
large trace change predicted (3.66672e-06%)
linmin: converged after 4 iterations.
iteration 523: trace = 2.41263343922431 (3.66393e-06% change)
linmin: converged after 18 iterations.
iteration 524: trace = 2.412633425038576 (5.87977e-07% change)
large trace change predicted (3.21106e-06%)
linmin: converged after 3 iterations.
iteration 525: trace = 2.412633347607506 (3.2094e-06% change)
linmin: converged after 3 iterations.
iteration 526: trace = 2.412633293989531 (2.22238e-06% change)
linmin: converged after 17 iterations.
iteration 527: trace = 2.412633282814469 (4.63189e-07% change)
large trace change predicted (1.38646e-06%)
linmin: converged after 3 iterations.
iteration 528: trace = 2.412633249369911 (1.38623e-06% change)
linmin: converged after 3 iterations.
iteration 529: trace = 2.412633226182503 (9.61083e-07% change)
linmin: converged after 3 iterations.
iteration 530: trace = 2.412633217772954 (3.48563e-07% change)
large trace change predicted (9.1847e-07%)
linmin: converged after 3 iterations.
iteration 531: trace = 2.412633195615594 (9.18389e-07% change)
linmin: converged after 5 iterations.
iteration 532: trace = 2.412633181151997 (5.99494e-07% change)
linmin: converged after 3 iterations.
iteration 533: trace = 2.412633163842421 (7.17456e-07% change)
linmin: converged after 4 iterations.
iteration 534: trace = 2.412633149836604 (5.8052e-07% change)
linmin: converged after 4 iterations.
iteration 535: trace = 2.412633137535378 (5.09867e-07% change)
linmin: converged after 3 iterations.
iteration 536: trace = 2.412633126023987 (4.7713e-07% change)
large trace change predicted (1.09721e-06%)
linmin: converged after 24 iterations.
iteration 537: trace = 2.412633099552856 (1.09719e-06% change)
linmin: converged after 3 iterations.
iteration 538: trace = 2.412633094260564 (2.19357e-07% change)
large trace change predicted (8.15543e-07%)
linmin: converged after 25 iterations.
iteration 539: trace = 2.412633074585623 (8.15497e-07% change)
linmin: converged after 17 iterations.
iteration 540: trace = 2.412633055894965 (7.747e-07% change)
linmin: converged after 14 iterations.
iteration 541: trace = 2.412633047168399 (3.61703e-07% change)
large trace change predicted (1.03022e-06%)
linmin: converged after 6 iterations.
iteration 542: trace = 2.412633022313367 (1.0302e-06% change)
linmin: converged after 2 iterations.
iteration 543: trace = 2.412632985204466 (1.53811e-06% change)
linmin: converged after 5 iterations.
iteration 544: trace = 2.412632972386088 (5.31302e-07% change)
large trace change predicted (3.16438e-06%)
linmin: converged after 4 iterations.
iteration 545: trace = 2.412632896032461 (3.16474e-06% change)
linmin: converged after 5 iterations.
iteration 546: trace = 2.412632864620243 (1.30199e-06% change)
linmin: converged after 3 iterations.
iteration 547: trace = 2.412632827819871 (1.52532e-06% change)
large trace change predicted (5.18407e-06%)
linmin: converged after 3 iterations.
iteration 548: trace = 2.412632702723378 (5.18506e-06% change)
linmin: converged after 2 iterations.
iteration 549: trace = 2.412632661512463 (1.70813e-06% change)
linmin: converged after 3 iterations.
iteration 550: trace = 2.412632606275865 (2.28947e-06% change)
linmin: converged after 2 iterations.
iteration 551: trace = 2.412632569454538 (1.52619e-06% change)
linmin: converged after 3 iterations.
iteration 552: trace = 2.412632559393794 (4.17003e-07% change)
large trace change predicted (9.9684e-07%)
linmin: converged after 3 iterations.
iteration 553: trace = 2.41263253534433 (9.96814e-07% change)
linmin: converged after 8 iterations.
iteration 554: trace = 2.412632516134743 (7.96209e-07% change)
linmin: converged after 5 iterations.
iteration 555: trace = 2.412632508945961 (2.97964e-07% change)
linmin: converged after 17 iterations.
iteration 556: trace = 2.412632496437547 (5.18455e-07% change)
linmin: converged after 13 iterations.
iteration 557: trace = 2.412632479828672 (6.88413e-07% change)
linmin: converged after 5 iterations.
iteration 558: trace = 2.412632470882901 (3.70789e-07% change)
large trace change predicted (8.7377e-07%)
linmin: converged after 3 iterations.
iteration 559: trace = 2.412632449802999 (8.7373e-07% change)
resetting CG direction...
linmin: converged after 12 iterations.
iteration 560: trace = 2.412632430509535 (7.99685e-07% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.412632425070163 (2.25454e-07% change)
large trace change predicted (7.81561e-07%)
linmin: converged after 5 iterations.
iteration 562: trace = 2.412632406214601 (7.81535e-07% change)
linmin: converged after 4 iterations.
iteration 563: trace = 2.412632395050036 (4.62755e-07% change)
linmin: converged after 6 iterations.
iteration 564: trace = 2.412632387292498 (3.21538e-07% change)
large trace change predicted (7.00258e-07%)
linmin: converged after 6 iterations.
iteration 565: trace = 2.412632370398085 (7.00248e-07% change)
linmin: converged after 23 iterations.
iteration 566: trace = 2.412632355180013 (6.30766e-07% change)
linmin: converged after 6 iterations.
iteration 567: trace = 2.41263234258419 (5.22078e-07% change)
large trace change predicted (1.44304e-06%)
linmin: converged after 3 iterations.
iteration 568: trace = 2.412632307769536 (1.44302e-06% change)
linmin: converged after 28 iterations.
iteration 569: trace = 2.412632297714972 (4.16747e-07% change)
large trace change predicted (2.7581e-06%)
linmin: converged after 6 iterations.
iteration 570: trace = 2.412632231175007 (2.75798e-06% change)
linmin: converged after 11 iterations.
iteration 571: trace = 2.412632161979124 (2.86807e-06% change)
linmin: converged after 4 iterations.
iteration 572: trace = 2.412632133637415 (1.17472e-06% change)
linmin: converged after 3 iterations.
iteration 573: trace = 2.412632096635164 (1.53369e-06% change)
linmin: converged after 27 iterations.
iteration 574: trace = 2.412632043412803 (2.20599e-06% change)
linmin: converged after 2 iterations.
iteration 575: trace = 2.412632027974648 (6.39888e-07% change)
linmin: converged after 4 iterations.
iteration 576: trace = 2.412631999289264 (1.18897e-06% change)
linmin: converged after 2 iterations.
iteration 577: trace = 2.41263199293719 (2.63284e-07% change)
large trace change predicted (6.56123e-07%)
linmin: converged after 14 iterations.
iteration 578: trace = 2.412631977106666 (6.56152e-07% change)
linmin: converged after 3 iterations.
iteration 579: trace = 2.412631964825822 (5.09023e-07% change)
linmin: converged after 12 iterations.
iteration 580: trace = 2.412631950558348 (5.91366e-07% change)
linmin: converged after 3 iterations.
iteration 581: trace = 2.412631948001017 (1.05998e-07% change)
large trace change predicted (6.36046e-07%)
linmin: converged after 13 iterations.
iteration 582: trace = 2.412631932654924 (6.36073e-07% change)
linmin: converged after 3 iterations.
iteration 583: trace = 2.412631929921282 (1.13305e-07% change)
large trace change predicted (2.48552e-07%)
linmin: converged after 5 iterations.
iteration 584: trace = 2.412631923924131 (2.48573e-07% change)
large trace change predicted (6.35569e-07%)
linmin: converged after 4 iterations.
iteration 585: trace = 2.412631908588614 (6.35634e-07% change)
linmin: converged after 23 iterations.
iteration 586: trace = 2.412631906019616 (1.06481e-07% change)
large trace change predicted (7.43488e-07%)
linmin: converged after 4 iterations.
iteration 587: trace = 2.412631888077842 (7.4366e-07% change)
linmin: converged after 30 iterations.
iteration 588: trace = 2.412631878688956 (3.89155e-07% change)
linmin: converged after 3 iterations.
iteration 589: trace = 2.412631872146539 (2.71173e-07% change)
large trace change predicted (5.9415e-07%)
linmin: converged after 3 iterations.
iteration 590: trace = 2.412631857810525 (5.94206e-07% change)
linmin: converged after 4 iterations.
iteration 591: trace = 2.412631832086421 (1.06623e-06% change)
linmin: converged after 3 iterations.
iteration 592: trace = 2.412631818296104 (5.71588e-07% change)
linmin: converged after 6 iterations.
iteration 593: trace = 2.412631797655271 (8.55532e-07% change)
large trace change predicted (1.7394e-06%)
linmin: converged after 3 iterations.
iteration 594: trace = 2.412631755675351 (1.74001e-06% change)
linmin: converged after 3 iterations.
iteration 595: trace = 2.41263174662151 (3.75268e-07% change)
large trace change predicted (1.16874e-06%)
linmin: converged after 3 iterations.
iteration 596: trace = 2.412631718420116 (1.16891e-06% change)
linmin: converged after 4 iterations.
iteration 597: trace = 2.412631683794476 (1.43518e-06% change)
linmin: converged after 2 iterations.
iteration 598: trace = 2.412631678633707 (2.13906e-07% change)
large trace change predicted (1.15281e-06%)
linmin: converged after 4 iterations.
iteration 599: trace = 2.412631650812322 (1.15316e-06% change)
linmin: converged after 5 iterations.
iteration 600: trace = 2.412631647766944 (1.26226e-07% change)
large trace change predicted (5.54604e-07%)
linmin: converged after 4 iterations.
iteration 601: trace = 2.412631634385495 (5.54641e-07% change)
linmin: converged after 4 iterations.
iteration 602: trace = 2.412631626641236 (3.20988e-07% change)
linmin: converged after 9 iterations.
iteration 603: trace = 2.412631622527124 (1.70524e-07% change)
linmin: converged after 5 iterations.
iteration 604: trace = 2.412631616376268 (2.54944e-07% change)
linmin: converged after 5 iterations.
iteration 605: trace = 2.412631607292374 (3.76514e-07% change)
linmin: converged after 3 iterations.
iteration 606: trace = 2.412631605311292 (8.21129e-08% change)
large trace change predicted (4.63878e-07%)
linmin: converged after 4 iterations.
iteration 607: trace = 2.412631594119526 (4.63882e-07% change)
linmin: converged after 21 iterations.
iteration 608: trace = 2.412631589506675 (1.91196e-07% change)
linmin: converged after 3 iterations.
iteration 609: trace = 2.412631584035406 (2.26776e-07% change)
linmin: converged after 20 iterations.
iteration 610: trace = 2.412631576344531 (3.18775e-07% change)
linmin: converged after 4 iterations.
iteration 611: trace = 2.412631564470813 (4.92148e-07% change)
linmin: converged after 7 iterations.
iteration 612: trace = 2.412631561105966 (1.39468e-07% change)
large trace change predicted (5.91241e-07%)
linmin: converged after 4 iterations.
iteration 613: trace = 2.412631546842259 (5.9121e-07% change)
linmin: converged after 23 iterations.
iteration 614: trace = 2.412631537900961 (3.70604e-07% change)
linmin: converged after 11 iterations.
iteration 615: trace = 2.412631524948237 (5.36871e-07% change)
linmin: converged after 3 iterations.
iteration 616: trace = 2.412631500920552 (9.95912e-07% change)
linmin: converged after 4 iterations.
iteration 617: trace = 2.412631487772047 (5.44986e-07% change)
large trace change predicted (1.27559e-06%)
linmin: converged after 3 iterations.
iteration 618: trace = 2.412631456995054 (1.27566e-06% change)
linmin: converged after 3 iterations.
iteration 619: trace = 2.412631426358054 (1.26986e-06% change)
linmin: converged after 7 iterations.
iteration 620: trace = 2.412631419613459 (2.79553e-07% change)
linmin: converged after 2 iterations.
iteration 621: trace = 2.412631408731586 (4.51038e-07% change)
linmin: converged after 4 iterations.
iteration 622: trace = 2.412631388669741 (8.31534e-07% change)
linmin: converged after 4 iterations.
iteration 623: trace = 2.412631386320154 (9.73869e-08% change)
large trace change predicted (6.43728e-07%)
linmin: converged after 3 iterations.
iteration 624: trace = 2.41263137078966 (6.43716e-07% change)
linmin: converged after 20 iterations.
iteration 625: trace = 2.412631367461358 (1.37953e-07% change)
linmin: converged after 2 iterations.
iteration 626: trace = 2.412631364341196 (1.29326e-07% change)
large trace change predicted (2.90043e-07%)
linmin: converged after 3 iterations.
iteration 627: trace = 2.412631357343453 (2.90046e-07% change)
linmin: converged after 12 iterations.
iteration 628: trace = 2.4126313523449 (2.07183e-07% change)
linmin: converged after 3 iterations.
iteration 629: trace = 2.412631348268566 (1.68958e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 630: trace = 2.412631344431736 (1.59031e-07% change)
linmin: converged after 3 iterations.
iteration 631: trace = 2.41263134002685 (1.82576e-07% change)
linmin: converged after 3 iterations.
iteration 632: trace = 2.412631335271176 (1.97116e-07% change)
linmin: converged after 21 iterations.
iteration 633: trace = 2.412631331331592 (1.6329e-07% change)
linmin: converged after 3 iterations.
iteration 634: trace = 2.412631327488496 (1.59291e-07% change)
large trace change predicted (6.02673e-07%)
linmin: converged after 2 iterations.
iteration 635: trace = 2.412631312948187 (6.02674e-07% change)
linmin: converged after 3 iterations.
iteration 636: trace = 2.412631310895454 (8.50828e-08% change)
large trace change predicted (6.68107e-07%)
linmin: converged after 37 iterations.
iteration 637: trace = 2.412631294775867 (6.68133e-07% change)
linmin: converged after 21 iterations.
iteration 638: trace = 2.412631282575826 (5.05674e-07% change)
linmin: converged after 3 iterations.
iteration 639: trace = 2.412631277626279 (2.05151e-07% change)
large trace change predicted (9.74559e-07%)
linmin: converged after 2 iterations.
iteration 640: trace = 2.41263125411361 (9.74565e-07% change)
linmin: converged after 3 iterations.
iteration 641: trace = 2.412631232998343 (8.75197e-07% change)
linmin: converged after 4 iterations.
iteration 642: trace = 2.412631220139265 (5.3299e-07% change)
linmin: converged after 3 iterations.
iteration 643: trace = 2.412631199911996 (8.3839e-07% change)
linmin: converged after 18 iterations.
iteration 644: trace = 2.412631191636586 (3.43004e-07% change)
linmin: converged after 3 iterations.
iteration 645: trace = 2.412631183279183 (3.46402e-07% change)
linmin: converged after 4 iterations.
iteration 646: trace = 2.412631171487007 (4.88768e-07% change)
linmin: converged after 27 iterations.
iteration 647: trace = 2.412631168954319 (1.04976e-07% change)
large trace change predicted (3.63316e-07%)
linmin: converged after 4 iterations.
iteration 648: trace = 2.412631160188647 (3.63324e-07% change)
linmin: converged after 4 iterations.
iteration 649: trace = 2.412631155897688 (1.77854e-07% change)
linmin: converged after 3 iterations.
iteration 650: trace = 2.41263115193879 (1.6409e-07% change)
linmin: converged after 3 iterations.
iteration 651: trace = 2.412631147490684 (1.84367e-07% change)
linmin: converged after 3 iterations.
iteration 652: trace = 2.412631140568475 (2.86915e-07% change)
linmin: converged after 3 iterations.
iteration 653: trace = 2.412631138151422 (1.00183e-07% change)
large trace change predicted (2.68793e-07%)
linmin: converged after 14 iterations.
iteration 654: trace = 2.412631131666535 (2.68789e-07% change)
linmin: converged after 3 iterations.
iteration 655: trace = 2.412631126515688 (2.13495e-07% change)
linmin: converged after 4 iterations.
iteration 656: trace = 2.412631124514832 (8.29326e-08% change)
large trace change predicted (2.48912e-07%)
linmin: converged after 15 iterations.
iteration 657: trace = 2.412631118509633 (2.48907e-07% change)
linmin: converged after 6 iterations.
iteration 658: trace = 2.412631107672285 (4.49192e-07% change)
linmin: converged after 29 iterations.
iteration 659: trace = 2.412631105516212 (8.93661e-08% change)
large trace change predicted (6.99896e-07%)
linmin: converged after 3 iterations.
iteration 660: trace = 2.412631088633407 (6.99767e-07% change)
linmin: converged after 9 iterations.
iteration 661: trace = 2.412631079209359 (3.90613e-07% change)
linmin: converged after 2 iterations.
iteration 662: trace = 2.412631073188543 (2.49554e-07% change)
large trace change predicted (1.23242e-06%)
linmin: converged after 3 iterations.
iteration 663: trace = 2.412631043467748 (1.23188e-06% change)
linmin: converged after 3 iterations.
iteration 664: trace = 2.412631033031287 (4.32576e-07% change)
large trace change predicted (8.95433e-07%)
linmin: converged after 3 iterations.
iteration 665: trace = 2.41263101143478 (8.95143e-07% change)
linmin: converged after 3 iterations.
iteration 666: trace = 2.412630991360767 (8.32038e-07% change)
linmin: converged after 34 iterations.
iteration 667: trace = 2.412630986898685 (1.84947e-07% change)
large trace change predicted (4.22379e-07%)
linmin: converged after 20 iterations.
iteration 668: trace = 2.412630976708886 (4.22352e-07% change)
linmin: converged after 3 iterations.
iteration 669: trace = 2.412630967660475 (3.75043e-07% change)
linmin: converged after 4 iterations.
iteration 670: trace = 2.412630964884708 (1.15051e-07% change)
large trace change predicted (3.97667e-07%)
linmin: converged after 8 iterations.
iteration 671: trace = 2.412630955291559 (3.97622e-07% change)
linmin: converged after 17 iterations.
iteration 672: trace = 2.412630947961292 (3.03829e-07% change)
linmin: converged after 21 iterations.
iteration 673: trace = 2.412630943686239 (1.77195e-07% change)
linmin: converged after 26 iterations.
iteration 674: trace = 2.412630938138281 (2.29955e-07% change)
linmin: converged after 7 iterations.
iteration 675: trace = 2.41263093180878 (2.62349e-07% change)
linmin: converged after 3 iterations.
iteration 676: trace = 2.412630930657883 (4.7703e-08% change)
large trace change predicted (3.67868e-07%)
linmin: converged after 3 iterations.
iteration 677: trace = 2.412630921782811 (3.67859e-07% change)
linmin: converged after 7 iterations.
iteration 678: trace = 2.412630917325379 (1.84754e-07% change)
linmin: converged after 6 iterations.
iteration 679: trace = 2.412630912868707 (1.84722e-07% change)
linmin: converged after 3 iterations.
iteration 680: trace = 2.412630904878743 (3.31172e-07% change)
linmin: converged after 10 iterations.
iteration 681: trace = 2.412630901173149 (1.53591e-07% change)
linmin: converged after 20 iterations.
iteration 682: trace = 2.412630895258257 (2.45164e-07% change)
large trace change predicted (6.06104e-07%)
linmin: converged after 2 iterations.
iteration 683: trace = 2.412630880635001 (6.06112e-07% change)
linmin: converged after 3 iterations.
iteration 684: trace = 2.412630877671996 (1.22812e-07% change)
large trace change predicted (1.2113e-06%)
linmin: converged after 3 iterations.
iteration 685: trace = 2.41263084844553 (1.21139e-06% change)
linmin: converged after 21 iterations.
iteration 686: trace = 2.412630833135096 (6.34595e-07% change)
linmin: converged after 2 iterations.
iteration 687: trace = 2.41263082320165 (4.11727e-07% change)
large trace change predicted (1.5899e-06%)
linmin: converged after 3 iterations.
iteration 688: trace = 2.41263078483906 (1.59007e-06% change)
linmin: converged after 2 iterations.
iteration 689: trace = 2.412630774384965 (4.33307e-07% change)
linmin: converged after 23 iterations.
iteration 690: trace = 2.412630753695187 (8.57561e-07% change)
linmin: converged after 3 iterations.
iteration 691: trace = 2.412630743157435 (4.36774e-07% change)
linmin: converged after 2 iterations.
iteration 692: trace = 2.412630735803318 (3.04817e-07% change)
linmin: converged after 2 iterations.
iteration 693: trace = 2.41263073181322 (1.65384e-07% change)
large trace change predicted (3.75496e-07%)
linmin: converged after 12 iterations.
iteration 694: trace = 2.412630722753758 (3.75501e-07% change)
linmin: converged after 2 iterations.
iteration 695: trace = 2.412630720241677 (1.04122e-07% change)
linmin: converged after 9 iterations.
iteration 696: trace = 2.412630715328446 (2.03646e-07% change)
linmin: converged after 3 iterations.
iteration 697: trace = 2.412630708769601 (2.71855e-07% change)
linmin: converged after 2 iterations.
iteration 698: trace = 2.412630706261897 (1.03941e-07% change)
linmin: converged after 30 iterations.
iteration 699: trace = 2.412630702052699 (1.74465e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 700: trace = 2.412630697984868 (1.68606e-07% change)
linmin: converged after 2 iterations.
iteration 701: trace = 2.412630695621315 (9.79658e-08% change)
large trace change predicted (2.55182e-07%)
linmin: converged after 19 iterations.
iteration 702: trace = 2.412630689464828 (2.55177e-07% change)
linmin: converged after 2 iterations.
iteration 703: trace = 2.412630686994338 (1.02398e-07% change)
linmin: converged after 4 iterations.
iteration 704: trace = 2.412630682256786 (1.96365e-07% change)
linmin: converged after 3 iterations.
iteration 705: trace = 2.412630674275217 (3.30824e-07% change)
linmin: converged after 7 iterations.
iteration 706: trace = 2.412630671872351 (9.95953e-08% change)
large trace change predicted (3.26983e-07%)
linmin: converged after 12 iterations.
iteration 707: trace = 2.412630663983398 (3.26986e-07% change)
linmin: converged after 4 iterations.
iteration 708: trace = 2.4126306549498 (3.74429e-07% change)
linmin: converged after 4 iterations.
iteration 709: trace = 2.412630651129749 (1.58336e-07% change)
large trace change predicted (9.28137e-07%)
linmin: converged after 4 iterations.
iteration 710: trace = 2.412630628738105 (9.28101e-07% change)
linmin: converged after 3 iterations.
iteration 711: trace = 2.412630612230513 (6.84215e-07% change)
linmin: converged after 3 iterations.
iteration 712: trace = 2.412630593166302 (7.90184e-07% change)
linmin: converged after 3 iterations.
iteration 713: trace = 2.412630580745255 (5.14834e-07% change)
linmin: converged after 2 iterations.
iteration 714: trace = 2.412630567807815 (5.36238e-07% change)
linmin: converged after 4 iterations.
iteration 715: trace = 2.412630557173796 (4.40764e-07% change)
linmin: converged after 23 iterations.
iteration 716: trace = 2.412630547752579 (3.90496e-07% change)
linmin: converged after 3 iterations.
iteration 717: trace = 2.412630544966766 (1.15468e-07% change)
linmin: converged after 4 iterations.
iteration 718: trace = 2.412630540674763 (1.77897e-07% change)
linmin: converged after 3 iterations.
iteration 719: trace = 2.412630535659631 (2.0787e-07% change)
linmin: converged after 4 iterations.
iteration 720: trace = 2.412630533018452 (1.09473e-07% change)
linmin: converged after 24 iterations.
iteration 721: trace = 2.412630529554123 (1.43591e-07% change)
linmin: converged after 3 iterations.
iteration 722: trace = 2.412630524119566 (2.25254e-07% change)
linmin: converged after 39 iterations.
iteration 723: trace = 2.412630523252263 (3.59484e-08% change)
large trace change predicted (1.26153e-07%)
linmin: converged after 13 iterations.
iteration 724: trace = 2.412630520208611 (1.26155e-07% change)
linmin: converged after 22 iterations.
iteration 725: trace = 2.412630515590306 (1.91422e-07% change)
linmin: converged after 4 iterations.
iteration 726: trace = 2.41263051451737 (4.44716e-08% change)
large trace change predicted (2.54155e-07%)
linmin: converged after 18 iterations.
iteration 727: trace = 2.412630508384789 (2.54187e-07% change)
linmin: converged after 4 iterations.
iteration 728: trace = 2.41263050367689 (1.95135e-07% change)
linmin: converged after 3 iterations.
iteration 729: trace = 2.412630501519367 (8.94262e-08% change)
large trace change predicted (1.91344e-07%)
linmin: converged after 3 iterations.
iteration 730: trace = 2.412630496902832 (1.91349e-07% change)
linmin: converged after 3 iterations.
iteration 731: trace = 2.412630488937158 (3.30166e-07% change)
linmin: converged after 2 iterations.
iteration 732: trace = 2.41263048677312 (8.96962e-08% change)
large trace change predicted (4.38042e-07%)
linmin: converged after 28 iterations.
iteration 733: trace = 2.412630476203662 (4.38089e-07% change)
linmin: converged after 4 iterations.
iteration 734: trace = 2.412630464126485 (5.00581e-07% change)
linmin: converged after 19 iterations.
iteration 735: trace = 2.412630457786577 (2.6278e-07% change)
linmin: converged after 6 iterations.
iteration 736: trace = 2.412630448537708 (3.83352e-07% change)
linmin: converged after 4 iterations.
iteration 737: trace = 2.41263043528228 (5.49418e-07% change)
linmin: converged after 3 iterations.
iteration 738: trace = 2.412630432378604 (1.20353e-07% change)
large trace change predicted (4.25244e-07%)
linmin: converged after 4 iterations.
iteration 739: trace = 2.412630422117292 (4.25316e-07% change)
linmin: converged after 31 iterations.
iteration 740: trace = 2.412630421162608 (3.95702e-08% change)
large trace change predicted (2.18836e-07%)
linmin: converged after 19 iterations.
iteration 741: trace = 2.412630415882541 (2.18851e-07% change)
linmin: converged after 3 iterations.
iteration 742: trace = 2.412630413598977 (9.46504e-08% change)
linmin: converged after 3 iterations.
iteration 743: trace = 2.412630412505465 (4.53245e-08% change)
large trace change predicted (1.26626e-07%)
linmin: converged after 21 iterations.
iteration 744: trace = 2.412630409450342 (1.2663e-07% change)
linmin: converged after 7 iterations.
iteration 745: trace = 2.412630406140488 (1.37189e-07% change)
linmin: converged after 6 iterations.
iteration 746: trace = 2.412630405455217 (2.84035e-08% change)
large trace change predicted (1.57526e-07%)
linmin: converged after 11 iterations.
iteration 747: trace = 2.412630401654624 (1.57529e-07% change)
linmin: converged after 4 iterations.
iteration 748: trace = 2.412630400040995 (6.68826e-08% change)
linmin: converged after 3 iterations.
iteration 749: trace = 2.412630398875223 (4.83195e-08% change)
large trace change predicted (1.44433e-07%)
linmin: converged after 23 iterations.
iteration 750: trace = 2.412630395390554 (1.44434e-07% change)
linmin: converged after 4 iterations.
iteration 751: trace = 2.412630391577801 (1.58033e-07% change)
linmin: converged after 2 iterations.
iteration 752: trace = 2.412630390239896 (5.54542e-08% change)
large trace change predicted (1.41042e-07%)
linmin: converged after 18 iterations.
iteration 753: trace = 2.412630386837133 (1.4104e-07% change)
linmin: converged after 7 iterations.
iteration 754: trace = 2.412630380998193 (2.42016e-07% change)
linmin: converged after 32 iterations.
iteration 755: trace = 2.412630378758817 (9.28189e-08% change)
large trace change predicted (3.85767e-07%)
linmin: converged after 3 iterations.
iteration 756: trace = 2.412630369452035 (3.85753e-07% change)
linmin: converged after 16 iterations.
iteration 757: trace = 2.412630361949772 (3.10958e-07% change)
linmin: converged after 2 iterations.
iteration 758: trace = 2.412630353931812 (3.32333e-07% change)
linmin: converged after 9 iterations.
iteration 759: trace = 2.412630343761267 (4.21554e-07% change)
linmin: converged after 13 iterations.
iteration 760: trace = 2.412630341641721 (8.78521e-08% change)
large trace change predicted (2.09499e-07%)
linmin: converged after 3 iterations.
iteration 761: trace = 2.412630336587362 (2.09496e-07% change)
linmin: converged after 9 iterations.
iteration 762: trace = 2.412630330239075 (2.63127e-07% change)
linmin: converged after 3 iterations.
iteration 763: trace = 2.41263032943413 (3.33638e-08% change)
large trace change predicted (2.18555e-07%)
linmin: converged after 8 iterations.
iteration 764: trace = 2.412630324161313 (2.18551e-07% change)
linmin: converged after 12 iterations.
iteration 765: trace = 2.412630322968184 (4.94534e-08% change)
linmin: converged after 2 iterations.
iteration 766: trace = 2.412630320703994 (9.38474e-08% change)
linmin: converged after 8 iterations.
iteration 767: trace = 2.412630319365513 (5.54781e-08% change)
linmin: converged after 3 iterations.
iteration 768: trace = 2.412630317527879 (7.61672e-08% change)
linmin: converged after 9 iterations.
iteration 769: trace = 2.412630315728442 (7.45841e-08% change)
resetting CG direction...
linmin: converged after 34 iterations.
iteration 770: trace = 2.412630314002941 (7.15195e-08% change)
linmin: converged after 4 iterations.
iteration 771: trace = 2.412630312334698 (6.91462e-08% change)
linmin: converged after 4 iterations.
iteration 772: trace = 2.412630311072657 (5.23098e-08% change)
linmin: converged after 20 iterations.
iteration 773: trace = 2.412630310201734 (3.60985e-08% change)
large trace change predicted (1.00858e-07%)
linmin: converged after 4 iterations.
iteration 774: trace = 2.412630307768393 (1.00858e-07% change)
linmin: converged after 3 iterations.
iteration 775: trace = 2.412630303398672 (1.81119e-07% change)
linmin: converged after 7 iterations.
iteration 776: trace = 2.412630302344466 (4.36953e-08% change)
large trace change predicted (1.43487e-07%)
linmin: converged after 28 iterations.
iteration 777: trace = 2.412630298882664 (1.43487e-07% change)
linmin: converged after 20 iterations.
iteration 778: trace = 2.412630293349228 (2.29353e-07% change)
linmin: converged after 5 iterations.
iteration 779: trace = 2.412630291782287 (6.49474e-08% change)
large trace change predicted (3.79797e-07%)
linmin: converged after 17 iterations.
iteration 780: trace = 2.412630282619255 (3.79794e-07% change)
linmin: converged after 18 iterations.
iteration 781: trace = 2.412630278611255 (1.66126e-07% change)
large trace change predicted (3.44064e-07%)
linmin: converged after 3 iterations.
iteration 782: trace = 2.412630270310145 (3.44069e-07% change)
linmin: converged after 11 iterations.
iteration 783: trace = 2.412630264638863 (2.35066e-07% change)
linmin: converged after 3 iterations.
iteration 784: trace = 2.412630262012753 (1.08848e-07% change)
linmin: converged after 2 iterations.
iteration 785: trace = 2.412630257534532 (1.85616e-07% change)
linmin: converged after 2 iterations.
iteration 786: trace = 2.412630253415061 (1.70746e-07% change)
linmin: converged after 3 iterations.
iteration 787: trace = 2.412630252621948 (3.28734e-08% change)
large trace change predicted (1.43601e-07%)
linmin: converged after 24 iterations.
iteration 788: trace = 2.41263024915729 (1.43605e-07% change)
linmin: converged after 3 iterations.
iteration 789: trace = 2.412630247705548 (6.01726e-08% change)
linmin: converged after 4 iterations.
iteration 790: trace = 2.412630246642179 (4.40751e-08% change)
linmin: converged after 4 iterations.
iteration 791: trace = 2.412630244692875 (8.07958e-08% change)
linmin: converged after 14 iterations.
iteration 792: trace = 2.412630242850142 (7.63786e-08% change)
linmin: converged after 4 iterations.
iteration 793: trace = 2.412630241342932 (6.24717e-08% change)
linmin: converged after 24 iterations.
iteration 794: trace = 2.412630238989813 (9.75333e-08% change)
linmin: converged after 3 iterations.
iteration 795: trace = 2.412630237919453 (4.43649e-08% change)
linmin: converged after 26 iterations.
iteration 796: trace = 2.41263023639565 (6.31594e-08% change)
linmin: converged after 3 iterations.
iteration 797: trace = 2.412630234404551 (8.25282e-08% change)
linmin: converged after 22 iterations.
iteration 798: trace = 2.412630231415624 (1.23887e-07% change)
linmin: converged after 15 iterations.
iteration 799: trace = 2.412630229447239 (8.15867e-08% change)
large trace change predicted (2.53304e-07%)
linmin: converged after 3 iterations.
iteration 800: trace = 2.412630223336504 (2.53281e-07% change)
linmin: converged after 14 iterations.
iteration 801: trace = 2.412630219508458 (1.58667e-07% change)
linmin: converged after 3 iterations.
iteration 802: trace = 2.41263021656119 (1.2216e-07% change)
large trace change predicted (4.23832e-07%)
linmin: converged after 19 iterations.
iteration 803: trace = 2.412630206338954 (4.23697e-07% change)
linmin: converged after 11 iterations.
iteration 804: trace = 2.412630200502285 (2.41921e-07% change)
linmin: converged after 4 iterations.
iteration 805: trace = 2.412630194327604 (2.55931e-07% change)
linmin: converged after 6 iterations.
iteration 806: trace = 2.412630189155901 (2.1436e-07% change)
linmin: converged after 23 iterations.
iteration 807: trace = 2.412630184255125 (2.0313e-07% change)
linmin: converged after 3 iterations.
iteration 808: trace = 2.412630183113364 (4.73243e-08% change)
large trace change predicted (1.78707e-07%)
linmin: converged after 5 iterations.
iteration 809: trace = 2.412630178802017 (1.78699e-07% change)
linmin: converged after 3 iterations.
iteration 810: trace = 2.412630176103099 (1.11866e-07% change)
linmin: converged after 15 iterations.
iteration 811: trace = 2.412630174655609 (5.99964e-08% change)
large trace change predicted (1.468e-07%)
linmin: converged after 3 iterations.
iteration 812: trace = 2.412630171114174 (1.46787e-07% change)
linmin: converged after 4 iterations.
iteration 813: trace = 2.412630170541555 (2.37342e-08% change)
large trace change predicted (8.56223e-08%)
linmin: converged after 6 iterations.
iteration 814: trace = 2.412630168475846 (8.56206e-08% change)
linmin: converged after 6 iterations.
iteration 815: trace = 2.412630166425033 (8.50032e-08% change)
linmin: converged after 3 iterations.
iteration 816: trace = 2.41263016596134 (1.92194e-08% change)
large trace change predicted (1.22756e-07%)
linmin: converged after 4 iterations.
iteration 817: trace = 2.412630162999704 (1.22756e-07% change)
linmin: converged after 3 iterations.
iteration 818: trace = 2.412630161544896 (6.02997e-08% change)
linmin: converged after 3 iterations.
iteration 819: trace = 2.412630160401213 (4.7404e-08% change)
large trace change predicted (1.04857e-07%)
linmin: converged after 3 iterations.
iteration 820: trace = 2.412630157871396 (1.04857e-07% change)
linmin: converged after 3 iterations.
iteration 821: trace = 2.412630155502437 (9.81899e-08% change)
linmin: converged after 17 iterations.
iteration 822: trace = 2.41263015373589 (7.32208e-08% change)
large trace change predicted (2.11537e-07%)
linmin: converged after 3 iterations.
iteration 823: trace = 2.412630148632152 (2.11543e-07% change)
linmin: converged after 3 iterations.
iteration 824: trace = 2.412630147596164 (4.29402e-08% change)
large trace change predicted (4.24036e-07%)
linmin: converged after 9 iterations.
iteration 825: trace = 2.412630137365308 (4.24054e-07% change)
linmin: converged after 4 iterations.
iteration 826: trace = 2.412630131637216 (2.37421e-07% change)
linmin: converged after 5 iterations.
iteration 827: trace = 2.412630125367094 (2.59887e-07% change)
linmin: converged after 2 iterations.
iteration 828: trace = 2.412630115580674 (4.05633e-07% change)
linmin: converged after 3 iterations.
iteration 829: trace = 2.412630106176529 (3.89788e-07% change)
linmin: converged after 38 iterations.
iteration 830: trace = 2.412630104317195 (7.70667e-08% change)
large trace change predicted (1.84428e-07%)
linmin: converged after 3 iterations.
iteration 831: trace = 2.41263009986758 (1.8443e-07% change)
linmin: converged after 3 iterations.
iteration 832: trace = 2.412630097204729 (1.10371e-07% change)
linmin: converged after 3 iterations.
iteration 833: trace = 2.412630096236547 (4.01297e-08% change)
large trace change predicted (1.12539e-07%)
linmin: converged after 9 iterations.
iteration 834: trace = 2.412630093521376 (1.1254e-07% change)
linmin: converged after 3 iterations.
iteration 835: trace = 2.41263009130243 (9.19721e-08% change)
linmin: converged after 3 iterations.
iteration 836: trace = 2.41263009081976 (2.0006e-08% change)
large trace change predicted (1.0333e-07%)
linmin: converged after 3 iterations.
iteration 837: trace = 2.412630088326788 (1.0333e-07% change)
linmin: converged after 3 iterations.
iteration 838: trace = 2.412630087184927 (4.73285e-08% change)
linmin: converged after 7 iterations.
iteration 839: trace = 2.412630086005061 (4.89037e-08% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 840: trace = 2.412630084853224 (4.77419e-08% change)
linmin: converged after 4 iterations.
iteration 841: trace = 2.412630083775452 (4.46721e-08% change)
large trace change predicted (9.87849e-08%)
linmin: converged after 4 iterations.
iteration 842: trace = 2.412630081392131 (9.87852e-08% change)
linmin: converged after 3 iterations.
iteration 843: trace = 2.412630080919055 (1.96083e-08% change)
large trace change predicted (8.72356e-08%)
linmin: converged after 19 iterations.
iteration 844: trace = 2.412630078814388 (8.72354e-08% change)
linmin: converged after 9 iterations.
iteration 845: trace = 2.412630076522828 (9.49818e-08% change)
linmin: converged after 3 iterations.
iteration 846: trace = 2.412630075547689 (4.04181e-08% change)
large trace change predicted (9.2334e-08%)
linmin: converged after 4 iterations.
iteration 847: trace = 2.412630073320048 (9.23325e-08% change)
linmin: converged after 13 iterations.
iteration 848: trace = 2.412630069081791 (1.7567e-07% change)
linmin: converged after 2 iterations.
iteration 849: trace = 2.412630067837733 (5.15644e-08% change)
large trace change predicted (3.41124e-07%)
linmin: converged after 30 iterations.
iteration 850: trace = 2.412630059607968 (3.41112e-07% change)
linmin: converged after 6 iterations.
iteration 851: trace = 2.412630055236741 (1.81181e-07% change)
linmin: converged after 14 iterations.
iteration 852: trace = 2.412630048927199 (2.61521e-07% change)
linmin: converged after 3 iterations.
iteration 853: trace = 2.41263004326056 (2.34874e-07% change)
linmin: converged after 3 iterations.
iteration 854: trace = 2.412630035362064 (3.27381e-07% change)
linmin: converged after 4 iterations.
iteration 855: trace = 2.412630034623983 (3.05924e-08% change)
large trace change predicted (1.22412e-07%)
linmin: converged after 4 iterations.
iteration 856: trace = 2.412630031670645 (1.22412e-07% change)
linmin: converged after 4 iterations.
iteration 857: trace = 2.412630029864731 (7.48525e-08% change)
linmin: converged after 9 iterations.
iteration 858: trace = 2.412630029083334 (3.23878e-08% change)
large trace change predicted (7.69998e-08%)
linmin: converged after 3 iterations.
iteration 859: trace = 2.412630027225611 (7.69999e-08% change)
linmin: converged after 3 iterations.
iteration 860: trace = 2.412630026050904 (4.86899e-08% change)
linmin: converged after 8 iterations.
iteration 861: trace = 2.412630025045656 (4.16661e-08% change)
linmin: converged after 2 iterations.
iteration 862: trace = 2.412630023160149 (7.81515e-08% change)
linmin: converged after 4 iterations.
iteration 863: trace = 2.412630022805833 (1.46859e-08% change)
large trace change predicted (4.65662e-08%)
linmin: converged after 4 iterations.
iteration 864: trace = 2.412630021682353 (4.65666e-08% change)
linmin: converged after 4 iterations.
iteration 865: trace = 2.412630020105678 (6.53509e-08% change)
linmin: converged after 4 iterations.
iteration 866: trace = 2.412630019766103 (1.40749e-08% change)
large trace change predicted (9.34969e-08%)
linmin: converged after 20 iterations.
iteration 867: trace = 2.412630017510174 (9.3505e-08% change)
linmin: converged after 4 iterations.
iteration 868: trace = 2.412630016426371 (4.4922e-08% change)
linmin: converged after 7 iterations.
iteration 869: trace = 2.412630015371302 (4.37311e-08% change)
linmin: converged after 3 iterations.
iteration 870: trace = 2.412630013401023 (8.16652e-08% change)
linmin: converged after 4 iterations.
iteration 871: trace = 2.412630010552538 (1.18066e-07% change)
linmin: converged after 3 iterations.
iteration 872: trace = 2.4126300097959 (3.13615e-08% change)
large trace change predicted (1.66541e-07%)
linmin: converged after 5 iterations.
iteration 873: trace = 2.412630005777557 (1.66554e-07% change)
linmin: converged after 3 iterations.
iteration 874: trace = 2.412630000327308 (2.25905e-07% change)
linmin: converged after 3 iterations.
iteration 875: trace = 2.412629997601611 (1.12976e-07% change)
linmin: converged after 3 iterations.
iteration 876: trace = 2.412629996002416 (6.62843e-08% change)
large trace change predicted (2.32807e-07%)
linmin: converged after 3 iterations.
iteration 877: trace = 2.412629990384681 (2.32847e-07% change)
linmin: converged after 5 iterations.
iteration 878: trace = 2.412629989772531 (2.53727e-08% change)
large trace change predicted (1.47967e-07%)
linmin: converged after 4 iterations.
iteration 879: trace = 2.412629986202342 (1.47979e-07% change)
linmin: converged after 16 iterations.
iteration 880: trace = 2.412629985180147 (4.23685e-08% change)
linmin: converged after 2 iterations.
iteration 881: trace = 2.4126299837857 (5.77978e-08% change)
linmin: converged after 4 iterations.
iteration 882: trace = 2.412629982846029 (3.8948e-08% change)
linmin: converged after 3 iterations.
iteration 883: trace = 2.412629982045632 (3.31753e-08% change)
linmin: converged after 28 iterations.
iteration 884: trace = 2.412629981563856 (1.99689e-08% change)
large trace change predicted (4.71691e-08%)
linmin: converged after 3 iterations.
iteration 885: trace = 2.412629980425849 (4.71688e-08% change)
linmin: converged after 6 iterations.
iteration 886: trace = 2.412629980010091 (1.72326e-08% change)
large trace change predicted (5.13306e-08%)
linmin: converged after 6 iterations.
iteration 887: trace = 2.412629978771683 (5.13302e-08% change)
linmin: converged after 3 iterations.
iteration 888: trace = 2.412629978098695 (2.78943e-08% change)
linmin: converged after 3 iterations.
iteration 889: trace = 2.412629977621283 (1.97881e-08% change)
large trace change predicted (4.03133e-08%)
linmin: converged after 3 iterations.
iteration 890: trace = 2.412629976648673 (4.03133e-08% change)
linmin: converged after 15 iterations.
iteration 891: trace = 2.412629975084502 (6.48326e-08% change)
linmin: converged after 4 iterations.
iteration 892: trace = 2.412629974734866 (1.44919e-08% change)
large trace change predicted (6.46005e-08%)
linmin: converged after 4 iterations.
iteration 893: trace = 2.412629973176286 (6.46009e-08% change)
linmin: converged after 10 iterations.
iteration 894: trace = 2.412629971143999 (8.42353e-08% change)
linmin: converged after 3 iterations.
iteration 895: trace = 2.412629970287078 (3.55181e-08% change)
large trace change predicted (1.21358e-07%)
linmin: converged after 7 iterations.
iteration 896: trace = 2.412629967359126 (1.21359e-07% change)
linmin: converged after 5 iterations.
iteration 897: trace = 2.41262996325066 (1.7029e-07% change)
linmin: converged after 10 iterations.
iteration 898: trace = 2.412629961827745 (5.89777e-08% change)
large trace change predicted (1.47248e-07%)
linmin: converged after 13 iterations.
iteration 899: trace = 2.412629958275279 (1.47245e-07% change)
linmin: converged after 22 iterations.
iteration 900: trace = 2.41262995762309 (2.70323e-08% change)
large trace change predicted (6.70779e-08%)
linmin: converged after 3 iterations.
iteration 901: trace = 2.412629956004767 (6.70771e-08% change)
linmin: converged after 8 iterations.
iteration 902: trace = 2.412629953853624 (8.91618e-08% change)
linmin: converged after 6 iterations.
iteration 903: trace = 2.412629952339011 (6.27785e-08% change)
linmin: converged after 3 iterations.
iteration 904: trace = 2.412629951824864 (2.13106e-08% change)
large trace change predicted (4.56631e-08%)
linmin: converged after 4 iterations.
iteration 905: trace = 2.412629950723184 (4.56631e-08% change)
linmin: converged after 9 iterations.
iteration 906: trace = 2.41262995043129 (1.20986e-08% change)
linmin: converged after 4 iterations.
iteration 907: trace = 2.412629950115063 (1.31072e-08% change)
large trace change predicted (4.82051e-08%)
linmin: converged after 9 iterations.
iteration 908: trace = 2.412629948952074 (4.82042e-08% change)
linmin: converged after 4 iterations.
iteration 909: trace = 2.412629948000506 (3.94411e-08% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 910: trace = 2.412629947096256 (3.74798e-08% change)
linmin: converged after 4 iterations.
iteration 911: trace = 2.412629946063116 (4.28222e-08% change)
linmin: converged after 13 iterations.
iteration 912: trace = 2.412629945705591 (1.48189e-08% change)
linmin: converged after 3 iterations.
iteration 913: trace = 2.412629945403778 (1.25097e-08% change)
large trace change predicted (3.66869e-08%)
linmin: converged after 3 iterations.
iteration 914: trace = 2.412629944518654 (3.66871e-08% change)
linmin: converged after 8 iterations.
iteration 915: trace = 2.412629943941131 (2.39375e-08% change)
linmin: converged after 19 iterations.
iteration 916: trace = 2.412629942846111 (4.5387e-08% change)
linmin: converged after 4 iterations.
iteration 917: trace = 2.41262994195871 (3.67815e-08% change)
linmin: converged after 3 iterations.
iteration 918: trace = 2.412629940945351 (4.20023e-08% change)
linmin: converged after 32 iterations.
iteration 919: trace = 2.412629939456953 (6.16919e-08% change)
large trace change predicted (1.39475e-07%)
linmin: converged after 4 iterations.
iteration 920: trace = 2.412629936091918 (1.39476e-07% change)
linmin: converged after 8 iterations.
iteration 921: trace = 2.412629935440238 (2.70112e-08% change)
large trace change predicted (1.37329e-07%)
linmin: converged after 16 iterations.
iteration 922: trace = 2.41262993212697 (1.3733e-07% change)
linmin: converged after 9 iterations.
iteration 923: trace = 2.412629929854697 (9.41824e-08% change)
linmin: converged after 25 iterations.
iteration 924: trace = 2.41262992903042 (3.41651e-08% change)
large trace change predicted (6.89212e-08%)
linmin: converged after 13 iterations.
iteration 925: trace = 2.412629927367583 (6.89222e-08% change)
linmin: converged after 4 iterations.
iteration 926: trace = 2.412629925481372 (7.81807e-08% change)
linmin: converged after 3 iterations.
iteration 927: trace = 2.412629925170021 (1.2905e-08% change)
large trace change predicted (4.50779e-08%)
linmin: converged after 2 iterations.
iteration 928: trace = 2.412629924082459 (4.50779e-08% change)
linmin: converged after 3 iterations.
iteration 929: trace = 2.412629923616154 (1.93277e-08% change)
linmin: converged after 3 iterations.
iteration 930: trace = 2.412629923335968 (1.16133e-08% change)
large trace change predicted (3.70642e-08%)
linmin: converged after 3 iterations.
iteration 931: trace = 2.412629922441755 (3.70638e-08% change)
linmin: converged after 4 iterations.
iteration 932: trace = 2.412629921545873 (3.7133e-08% change)
linmin: converged after 3 iterations.
iteration 933: trace = 2.412629921236584 (1.28196e-08% change)
linmin: converged after 3 iterations.
iteration 934: trace = 2.412629920621312 (2.55021e-08% change)
linmin: converged after 4 iterations.
iteration 935: trace = 2.412629919788004 (3.45394e-08% change)
linmin: converged after 3 iterations.
iteration 936: trace = 2.412629919585213 (8.4054e-09% change)
large trace change predicted (3.2847e-08%)
linmin: converged after 3 iterations.
iteration 937: trace = 2.412629918792752 (3.28463e-08% change)
linmin: converged after 20 iterations.
iteration 938: trace = 2.412629917916981 (3.62995e-08% change)
linmin: converged after 3 iterations.
iteration 939: trace = 2.412629917146474 (3.19364e-08% change)
linmin: converged after 8 iterations.
iteration 940: trace = 2.412629916255733 (3.69199e-08% change)
large trace change predicted (8.63994e-08%)
linmin: converged after 3 iterations.
iteration 941: trace = 2.412629914171304 (8.63966e-08% change)
linmin: converged after 10 iterations.
iteration 942: trace = 2.412629913732433 (1.81906e-08% change)
large trace change predicted (1.72939e-07%)
linmin: converged after 22 iterations.
iteration 943: trace = 2.412629909560476 (1.72922e-07% change)
linmin: converged after 2 iterations.
iteration 944: trace = 2.412629908693916 (3.59176e-08% change)
large trace change predicted (1.61041e-07%)
linmin: converged after 4 iterations.
iteration 945: trace = 2.412629904808962 (1.61026e-07% change)
linmin: converged after 11 iterations.
iteration 946: trace = 2.412629902806294 (8.30077e-08% change)
linmin: converged after 12 iterations.
iteration 947: trace = 2.412629901003231 (7.47343e-08% change)
linmin: converged after 3 iterations.
iteration 948: trace = 2.412629900520371 (2.00138e-08% change)
large trace change predicted (6.2617e-08%)
linmin: converged after 8 iterations.
iteration 949: trace = 2.412629899009689 (6.26156e-08% change)
linmin: converged after 4 iterations.
iteration 950: trace = 2.412629897714054 (5.37022e-08% change)
linmin: converged after 9 iterations.
iteration 951: trace = 2.412629897292119 (1.74886e-08% change)
large trace change predicted (4.40285e-08%)
linmin: converged after 3 iterations.
iteration 952: trace = 2.412629896229895 (4.40277e-08% change)
linmin: converged after 7 iterations.
iteration 953: trace = 2.412629895835679 (1.63397e-08% change)
linmin: converged after 31 iterations.
iteration 954: trace = 2.41262989545988 (1.55763e-08% change)
large trace change predicted (4.40494e-08%)
linmin: converged after 4 iterations.
iteration 955: trace = 2.412629894397146 (4.40488e-08% change)
linmin: converged after 3 iterations.
iteration 956: trace = 2.412629894177326 (9.11121e-09% change)
large trace change predicted (4.35654e-08%)
linmin: converged after 3 iterations.
iteration 957: trace = 2.41262989312627 (4.35648e-08% change)
linmin: converged after 3 iterations.
iteration 958: trace = 2.412629892693353 (1.79438e-08% change)
linmin: converged after 3 iterations.
iteration 959: trace = 2.412629892094426 (2.48246e-08% change)
linmin: converged after 5 iterations.
iteration 960: trace = 2.412629891158984 (3.87727e-08% change)
linmin: converged after 6 iterations.
iteration 961: trace = 2.412629890450349 (2.93719e-08% change)
linmin: converged after 4 iterations.
iteration 962: trace = 2.412629890044665 (1.6815e-08% change)
large trace change predicted (7.79877e-08%)
linmin: converged after 4 iterations.
iteration 963: trace = 2.412629888163096 (7.79883e-08% change)
linmin: converged after 3 iterations.
iteration 964: trace = 2.412629886947771 (5.03734e-08% change)
large trace change predicted (1.19346e-07%)
linmin: converged after 4 iterations.
iteration 965: trace = 2.412629884068335 (1.19348e-07% change)
linmin: converged after 4 iterations.
iteration 966: trace = 2.412629880344576 (1.54344e-07% change)
linmin: converged after 10 iterations.
iteration 967: trace = 2.412629877828252 (1.04298e-07% change)
linmin: converged after 4 iterations.
iteration 968: trace = 2.412629876766644 (4.40021e-08% change)
large trace change predicted (1.53344e-07%)
linmin: converged after 24 iterations.
iteration 969: trace = 2.41262987306691 (1.53349e-07% change)
linmin: converged after 3 iterations.
iteration 970: trace = 2.412629872084477 (4.07204e-08% change)
linmin: converged after 4 iterations.
iteration 971: trace = 2.412629870941752 (4.73643e-08% change)
linmin: converged after 4 iterations.
iteration 972: trace = 2.412629869864672 (4.46434e-08% change)
linmin: converged after 4 iterations.
iteration 973: trace = 2.41262986936404 (2.07505e-08% change)
linmin: converged after 3 iterations.
iteration 974: trace = 2.412629868864745 (2.06951e-08% change)
linmin: converged after 13 iterations.
iteration 975: trace = 2.412629868071305 (3.28869e-08% change)
linmin: converged after 3 iterations.
iteration 976: trace = 2.412629867904632 (6.90837e-09% change)
large trace change predicted (4.18304e-08%)
linmin: converged after 3 iterations.
iteration 977: trace = 2.412629866895409 (4.18308e-08% change)
linmin: converged after 4 iterations.
iteration 978: trace = 2.412629866098786 (3.30189e-08% change)
linmin: converged after 3 iterations.
iteration 979: trace = 2.412629864748495 (5.59676e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 980: trace = 2.412629863545178 (4.98757e-08% change)
linmin: converged after 8 iterations.
iteration 981: trace = 2.412629862858517 (2.84611e-08% change)
linmin: converged after 3 iterations.
iteration 982: trace = 2.412629862100964 (3.13994e-08% change)
linmin: converged after 3 iterations.
iteration 983: trace = 2.412629861885926 (8.91302e-09% change)
large trace change predicted (3.86844e-08%)
linmin: converged after 4 iterations.
iteration 984: trace = 2.412629860952619 (3.86842e-08% change)
linmin: converged after 3 iterations.
iteration 985: trace = 2.412629860525339 (1.77102e-08% change)
linmin: converged after 5 iterations.
iteration 986: trace = 2.412629860196476 (1.36309e-08% change)
large trace change predicted (3.9324e-08%)
linmin: converged after 21 iterations.
iteration 987: trace = 2.412629859247733 (3.9324e-08% change)
linmin: converged after 17 iterations.
iteration 988: trace = 2.412629858594462 (2.70772e-08% change)
linmin: converged after 7 iterations.
iteration 989: trace = 2.412629857614493 (4.06183e-08% change)
large trace change predicted (1.15146e-07%)
linmin: converged after 4 iterations.
iteration 990: trace = 2.412629854836491 (1.15144e-07% change)
linmin: converged after 19 iterations.
iteration 991: trace = 2.412629854082428 (3.12548e-08% change)
large trace change predicted (6.28935e-08%)
linmin: converged after 4 iterations.
iteration 992: trace = 2.412629852565037 (6.28937e-08% change)
large trace change predicted (1.49805e-07%)
linmin: converged after 3 iterations.
iteration 993: trace = 2.412629848950882 (1.49801e-07% change)
linmin: converged after 30 iterations.
iteration 994: trace = 2.412629848207922 (3.07946e-08% change)
large trace change predicted (7.84549e-08%)
linmin: converged after 12 iterations.
iteration 995: trace = 2.412629846315109 (7.84543e-08% change)
linmin: converged after 4 iterations.
iteration 996: trace = 2.41262984535935 (3.96148e-08% change)
linmin: converged after 4 iterations.
iteration 997: trace = 2.412629844930482 (1.7776e-08% change)
linmin: converged after 4 iterations.
iteration 998: trace = 2.412629844252526 (2.81003e-08% change)
linmin: converged after 3 iterations.
iteration 999: trace = 2.412629843325026 (3.84435e-08% change)
linmin: converged after 9 iterations.
iteration 1000: trace = 2.412629843164996 (6.63302e-09% change)
large trace change predicted (2.14305e-08%)
linmin: converged after 25 iterations.
iteration 1001: trace = 2.412629842647958 (2.14305e-08% change)
linmin: converged after 4 iterations.
iteration 1002: trace = 2.412629842207104 (1.82728e-08% change)
linmin: converged after 3 iterations.
iteration 1003: trace = 2.412629841946901 (1.0785e-08% change)
linmin: converged after 10 iterations.
iteration 1004: trace = 2.412629841632628 (1.30262e-08% change)
large trace change predicted (2.69475e-08%)
linmin: converged after 30 iterations.
iteration 1005: trace = 2.412629840982474 (2.69479e-08% change)
linmin: converged after 22 iterations.
iteration 1006: trace = 2.412629840877706 (4.34251e-09% change)
large trace change predicted (3.23115e-08%)
linmin: converged after 5 iterations.
iteration 1007: trace = 2.41262984009813 (3.23123e-08% change)
linmin: converged after 4 iterations.
iteration 1008: trace = 2.412629839751881 (1.43515e-08% change)
linmin: converged after 4 iterations.
iteration 1009: trace = 2.41262983958712 (6.82911e-09% change)
large trace change predicted (4.12517e-08%)
linmin: converged after 5 iterations.
iteration 1010: trace = 2.412629838591845 (4.12527e-08% change)
linmin: converged after 4 iterations.
iteration 1011: trace = 2.412629838120655 (1.95301e-08% change)
linmin: converged after 3 iterations.
iteration 1012: trace = 2.412629837510762 (2.52792e-08% change)
large trace change predicted (6.32167e-08%)
linmin: converged after 15 iterations.
iteration 1013: trace = 2.412629835985489 (6.32203e-08% change)
linmin: converged after 3 iterations.
iteration 1014: trace = 2.412629835631574 (1.46693e-08% change)
large trace change predicted (7.57536e-08%)
linmin: converged after 19 iterations.
iteration 1015: trace = 2.412629833803829 (7.57574e-08% change)
linmin: converged after 3 iterations.
iteration 1016: trace = 2.412629832362236 (5.9752e-08% change)
linmin: converged after 3 iterations.
iteration 1017: trace = 2.412629831910247 (1.87343e-08% change)
large trace change predicted (7.29303e-08%)
linmin: converged after 22 iterations.
iteration 1018: trace = 2.412629830150612 (7.29343e-08% change)
linmin: converged after 27 iterations.
iteration 1019: trace = 2.412629829443364 (2.93144e-08% change)
linmin: converged after 4 iterations.
iteration 1020: trace = 2.412629828968342 (1.9689e-08% change)
linmin: converged after 9 iterations.
iteration 1021: trace = 2.412629828506349 (1.91489e-08% change)
linmin: converged after 3 iterations.
iteration 1022: trace = 2.412629827984003 (2.16505e-08% change)
linmin: converged after 31 iterations.
iteration 1023: trace = 2.412629827616924 (1.52149e-08% change)
linmin: converged after 16 iterations.
iteration 1024: trace = 2.412629827409932 (8.57949e-09% change)
linmin: converged after 4 iterations.
iteration 1025: trace = 2.412629827030375 (1.57321e-08% change)
linmin: converged after 4 iterations.
iteration 1026: trace = 2.412629826909312 (5.01787e-09% change)
large trace change predicted (1.45454e-08%)
linmin: converged after 4 iterations.
iteration 1027: trace = 2.412629826558385 (1.45454e-08% change)
linmin: converged after 27 iterations.
iteration 1028: trace = 2.412629826249745 (1.27927e-08% change)
linmin: converged after 4 iterations.
iteration 1029: trace = 2.412629826162839 (3.60211e-09% change)
large trace change predicted (1.99901e-08%)
linmin: converged after 3 iterations.
iteration 1030: trace = 2.412629825680554 (1.999e-08% change)
linmin: converged after 13 iterations.
iteration 1031: trace = 2.41262982547264 (8.6177e-09% change)
linmin: converged after 7 iterations.
iteration 1032: trace = 2.412629825146364 (1.35237e-08% change)
linmin: converged after 22 iterations.
iteration 1033: trace = 2.412629824792251 (1.46775e-08% change)
linmin: converged after 6 iterations.
iteration 1034: trace = 2.412629824093842 (2.8948e-08% change)
linmin: converged after 6 iterations.
iteration 1035: trace = 2.41262982367828 (1.72244e-08% change)
large trace change predicted (4.03548e-08%)
linmin: converged after 3 iterations.
iteration 1036: trace = 2.412629822704666 (4.03549e-08% change)
linmin: converged after 4 iterations.
iteration 1037: trace = 2.412629822310552 (1.63354e-08% change)
large trace change predicted (7.0546e-08%)
linmin: converged after 11 iterations.
iteration 1038: trace = 2.412629820608553 (7.05454e-08% change)
linmin: converged after 6 iterations.
iteration 1039: trace = 2.412629819755971 (3.53383e-08% change)
linmin: converged after 4 iterations.
iteration 1040: trace = 2.412629819101847 (2.71125e-08% change)
linmin: converged after 3 iterations.
iteration 1041: trace = 2.412629818478117 (2.58527e-08% change)
linmin: converged after 4 iterations.
iteration 1042: trace = 2.412629817860864 (2.55842e-08% change)
linmin: converged after 34 iterations.
iteration 1043: trace = 2.412629817739202 (5.04274e-09% change)
large trace change predicted (2.31791e-08%)
linmin: converged after 38 iterations.
iteration 1044: trace = 2.412629817179984 (2.31788e-08% change)
linmin: converged after 7 iterations.
iteration 1045: trace = 2.412629817058231 (5.04646e-09% change)
large trace change predicted (1.48557e-08%)
linmin: converged after 24 iterations.
iteration 1046: trace = 2.41262981669982 (1.48556e-08% change)
linmin: converged after 14 iterations.
iteration 1047: trace = 2.412629816529682 (7.05198e-09% change)
linmin: converged after 6 iterations.
iteration 1048: trace = 2.412629816447601 (3.40212e-09% change)
large trace change predicted (1.03698e-08%)
linmin: converged after 12 iterations.
iteration 1049: trace = 2.412629816197413 (1.03699e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1050: trace = 2.412629815984674 (8.81769e-09% change)
linmin: converged after 4 iterations.
iteration 1051: trace = 2.412629815909481 (3.11667e-09% change)
large trace change predicted (8.16028e-09%)
linmin: converged after 4 iterations.
iteration 1052: trace = 2.412629815712607 (8.16014e-09% change)
linmin: converged after 2 iterations.
iteration 1053: trace = 2.412629815440551 (1.12763e-08% change)
linmin: converged after 22 iterations.
iteration 1054: trace = 2.412629815353476 (3.60916e-09% change)
large trace change predicted (2.10156e-08%)
linmin: converged after 5 iterations.
iteration 1055: trace = 2.412629814846445 (2.10157e-08% change)
linmin: converged after 27 iterations.
iteration 1056: trace = 2.412629814710474 (5.63581e-09% change)
large trace change predicted (1.94301e-08%)
linmin: converged after 2 iterations.
iteration 1057: trace = 2.412629814241695 (1.94302e-08% change)
linmin: converged after 5 iterations.
iteration 1058: trace = 2.412629813657432 (2.42169e-08% change)
linmin: converged after 7 iterations.
iteration 1059: trace = 2.412629813162883 (2.04983e-08% change)
linmin: converged after 12 iterations.
iteration 1060: trace = 2.412629812289742 (3.61904e-08% change)
linmin: converged after 3 iterations.
iteration 1061: trace = 2.412629811028063 (5.22948e-08% change)
linmin: converged after 18 iterations.
iteration 1062: trace = 2.412629810679151 (1.44619e-08% change)
large trace change predicted (2.90844e-08%)
linmin: converged after 32 iterations.
iteration 1063: trace = 2.412629809977447 (2.90846e-08% change)
linmin: converged after 11 iterations.
iteration 1064: trace = 2.412629809486695 (2.0341e-08% change)
linmin: converged after 4 iterations.
iteration 1065: trace = 2.412629809252496 (9.7072e-09% change)
large trace change predicted (2.44557e-08%)
linmin: converged after 24 iterations.
iteration 1066: trace = 2.412629808662468 (2.44558e-08% change)
linmin: converged after 2 iterations.
iteration 1067: trace = 2.412629808288325 (1.55077e-08% change)
linmin: converged after 20 iterations.
iteration 1068: trace = 2.412629808183221 (4.35642e-09% change)
linmin: converged after 7 iterations.
iteration 1069: trace = 2.412629808011935 (7.09954e-09% change)
linmin: converged after 4 iterations.
iteration 1070: trace = 2.412629807738854 (1.13188e-08% change)
linmin: converged after 2 iterations.
iteration 1071: trace = 2.412629807677861 (2.52807e-09% change)
large trace change predicted (1.5228e-08%)
linmin: converged after 2 iterations.
iteration 1072: trace = 2.412629807310466 (1.5228e-08% change)
linmin: converged after 8 iterations.
iteration 1073: trace = 2.412629807206427 (4.3123e-09% change)
large trace change predicted (1.18308e-08%)
linmin: converged after 32 iterations.
iteration 1074: trace = 2.412629806920994 (1.18307e-08% change)
linmin: converged after 4 iterations.
iteration 1075: trace = 2.412629806704846 (8.95906e-09% change)
linmin: converged after 5 iterations.
iteration 1076: trace = 2.412629806542727 (6.71959e-09% change)
linmin: converged after 3 iterations.
iteration 1077: trace = 2.412629806274798 (1.11052e-08% change)
linmin: converged after 26 iterations.
iteration 1078: trace = 2.412629805845823 (1.77804e-08% change)
linmin: converged after 2 iterations.
iteration 1079: trace = 2.412629805588176 (1.06791e-08% change)
linmin: converged after 4 iterations.
iteration 1080: trace = 2.412629805201436 (1.60298e-08% change)
linmin: converged after 7 iterations.
iteration 1081: trace = 2.41262980472553 (1.97256e-08% change)
large trace change predicted (6.32318e-08%)
linmin: converged after 3 iterations.
iteration 1082: trace = 2.412629803200066 (6.32283e-08% change)
linmin: converged after 4 iterations.
iteration 1083: trace = 2.412629802741909 (1.899e-08% change)
large trace change predicted (5.37076e-08%)
linmin: converged after 22 iterations.
iteration 1084: trace = 2.412629801446201 (5.37052e-08% change)
linmin: converged after 24 iterations.
iteration 1085: trace = 2.412629800862739 (2.41837e-08% change)
linmin: converged after 4 iterations.
iteration 1086: trace = 2.412629800601384 (1.08328e-08% change)
large trace change predicted (3.04478e-08%)
linmin: converged after 10 iterations.
iteration 1087: trace = 2.412629799866803 (3.04473e-08% change)
linmin: converged after 3 iterations.
iteration 1088: trace = 2.412629799350177 (2.14134e-08% change)
linmin: converged after 29 iterations.
iteration 1089: trace = 2.412629799225591 (5.1639e-09% change)
large trace change predicted (1.89076e-08%)
linmin: converged after 11 iterations.
iteration 1090: trace = 2.412629798769434 (1.89071e-08% change)
linmin: converged after 2 iterations.
iteration 1091: trace = 2.412629798577574 (7.95231e-09% change)
linmin: converged after 3 iterations.
iteration 1092: trace = 2.412629798333592 (1.01127e-08% change)
linmin: converged after 3 iterations.
iteration 1093: trace = 2.412629798124874 (8.65104e-09% change)
linmin: converged after 4 iterations.
iteration 1094: trace = 2.412629797939717 (7.67448e-09% change)
linmin: converged after 4 iterations.
iteration 1095: trace = 2.41262979777021 (7.02582e-09% change)
large trace change predicted (1.5569e-08%)
linmin: converged after 3 iterations.
iteration 1096: trace = 2.412629797394588 (1.5569e-08% change)
linmin: converged after 7 iterations.
iteration 1097: trace = 2.412629797326813 (2.80918e-09% change)
large trace change predicted (8.10864e-09%)
linmin: converged after 4 iterations.
iteration 1098: trace = 2.412629797131182 (8.10861e-09% change)
linmin: converged after 25 iterations.
iteration 1099: trace = 2.412629796756931 (1.55122e-08% change)
linmin: converged after 11 iterations.
iteration 1100: trace = 2.412629796595836 (6.67716e-09% change)
large trace change predicted (1.55985e-08%)
linmin: converged after 13 iterations.
iteration 1101: trace = 2.412629796219503 (1.55985e-08% change)
linmin: converged after 4 iterations.
iteration 1102: trace = 2.41262979567259 (2.26687e-08% change)
linmin: converged after 5 iterations.
iteration 1103: trace = 2.412629795547905 (5.168e-09% change)
large trace change predicted (4.93729e-08%)
linmin: converged after 2 iterations.
iteration 1104: trace = 2.412629794356703 (4.93736e-08% change)
linmin: converged after 22 iterations.
iteration 1105: trace = 2.412629793449353 (3.76083e-08% change)
linmin: converged after 32 iterations.
iteration 1106: trace = 2.41262979269133 (3.1419e-08% change)
linmin: converged after 7 iterations.
iteration 1107: trace = 2.412629791839958 (3.52881e-08% change)
linmin: converged after 9 iterations.
iteration 1108: trace = 2.412629790416732 (5.89906e-08% change)
linmin: converged after 3 iterations.
iteration 1109: trace = 2.412629790204755 (8.78616e-09% change)
large trace change predicted (2.22164e-08%)
linmin: converged after 21 iterations.
iteration 1110: trace = 2.412629789668755 (2.22164e-08% change)
linmin: converged after 37 iterations.
iteration 1111: trace = 2.412629789317712 (1.45502e-08% change)
linmin: converged after 5 iterations.
iteration 1112: trace = 2.412629789155554 (6.72119e-09% change)
linmin: converged after 4 iterations.
iteration 1113: trace = 2.412629788911368 (1.01212e-08% change)
linmin: converged after 24 iterations.
iteration 1114: trace = 2.412629788675285 (9.78527e-09% change)
linmin: converged after 5 iterations.
iteration 1115: trace = 2.412629788600126 (3.11525e-09% change)
large trace change predicted (1.42705e-08%)
linmin: converged after 3 iterations.
iteration 1116: trace = 2.41262978825583 (1.42706e-08% change)
linmin: converged after 6 iterations.
iteration 1117: trace = 2.41262978816116 (3.92394e-09% change)
large trace change predicted (1.74541e-08%)
linmin: converged after 4 iterations.
iteration 1118: trace = 2.412629787740058 (1.74541e-08% change)
large trace change predicted (6.3657e-08%)
linmin: converged after 3 iterations.
iteration 1119: trace = 2.412629786204226 (6.3658e-08% change)
resetting CG direction...
linmin: converged after 30 iterations.
iteration 1120: trace = 2.412629785285744 (3.80698e-08% change)
linmin: converged after 2 iterations.
iteration 1121: trace = 2.412629784620151 (2.75879e-08% change)
linmin: converged after 22 iterations.
iteration 1122: trace = 2.412629784332103 (1.19391e-08% change)
linmin: converged after 4 iterations.
iteration 1123: trace = 2.412629784238997 (3.85913e-09% change)
large trace change predicted (1.05024e-08%)
linmin: converged after 3 iterations.
iteration 1124: trace = 2.412629783985613 (1.05024e-08% change)
linmin: converged after 15 iterations.
iteration 1125: trace = 2.412629783779505 (8.54288e-09% change)
linmin: converged after 14 iterations.
iteration 1126: trace = 2.412629783693836 (3.55088e-09% change)
large trace change predicted (8.91197e-09%)
linmin: converged after 4 iterations.
iteration 1127: trace = 2.412629783478826 (8.91184e-09% change)
linmin: converged after 19 iterations.
iteration 1128: trace = 2.412629783185753 (1.21474e-08% change)
linmin: converged after 6 iterations.
iteration 1129: trace = 2.412629783091349 (3.91289e-09% change)
large trace change predicted (2.23757e-08%)
linmin: converged after 9 iterations.
iteration 1130: trace = 2.412629782551514 (2.23754e-08% change)
linmin: converged after 8 iterations.
iteration 1131: trace = 2.412629782250037 (1.24958e-08% change)
large trace change predicted (2.58146e-08%)
linmin: converged after 3 iterations.
iteration 1132: trace = 2.412629781627233 (2.58143e-08% change)
linmin: converged after 4 iterations.
iteration 1133: trace = 2.412629781118458 (2.1088e-08% change)
linmin: converged after 4 iterations.
iteration 1134: trace = 2.412629780624438 (2.04764e-08% change)
linmin: converged after 27 iterations.
iteration 1135: trace = 2.412629779799263 (3.42023e-08% change)
linmin: converged after 5 iterations.
iteration 1136: trace = 2.412629779002777 (3.30132e-08% change)
linmin: converged after 6 iterations.
iteration 1137: trace = 2.412629778802315 (8.30889e-09% change)
linmin: converged after 30 iterations.
iteration 1138: trace = 2.41262977864878 (6.36376e-09% change)
large trace change predicted (1.44523e-08%)
linmin: converged after 4 iterations.
iteration 1139: trace = 2.412629778300097 (1.44524e-08% change)
linmin: converged after 3 iterations.
iteration 1140: trace = 2.41262977804243 (1.06799e-08% change)
linmin: converged after 2 iterations.
iteration 1141: trace = 2.412629777972584 (2.89497e-09% change)
large trace change predicted (1.20991e-08%)
linmin: converged after 2 iterations.
iteration 1142: trace = 2.412629777680676 (1.20992e-08% change)
linmin: converged after 2 iterations.
iteration 1143: trace = 2.412629777627251 (2.21438e-09% change)
large trace change predicted (6.60275e-09%)
linmin: converged after 6 iterations.
iteration 1144: trace = 2.412629777467953 (6.60269e-09% change)
linmin: converged after 3 iterations.
iteration 1145: trace = 2.412629777328626 (5.77491e-09% change)
linmin: converged after 18 iterations.
iteration 1146: trace = 2.412629777281504 (1.95315e-09% change)
large trace change predicted (7.51945e-09%)
linmin: converged after 4 iterations.
iteration 1147: trace = 2.412629777100085 (7.51955e-09% change)
linmin: converged after 3 iterations.
iteration 1148: trace = 2.412629776899561 (8.31141e-09% change)
linmin: converged after 17 iterations.
iteration 1149: trace = 2.412629776856743 (1.77475e-09% change)
large trace change predicted (6.23329e-09%)
linmin: converged after 6 iterations.
iteration 1150: trace = 2.412629776706354 (6.23339e-09% change)
linmin: converged after 4 iterations.
iteration 1151: trace = 2.412629776455408 (1.04013e-08% change)
linmin: converged after 3 iterations.
iteration 1152: trace = 2.412629776329157 (5.23292e-09% change)
linmin: converged after 4 iterations.
iteration 1153: trace = 2.4126297760858 (1.00868e-08% change)
large trace change predicted (2.52895e-08%)
linmin: converged after 10 iterations.
iteration 1154: trace = 2.412629775475638 (2.52903e-08% change)
linmin: converged after 6 iterations.
iteration 1155: trace = 2.412629775355432 (4.98239e-09% change)
large trace change predicted (3.10659e-08%)
linmin: converged after 14 iterations.
iteration 1156: trace = 2.412629774605901 (3.1067e-08% change)
linmin: converged after 11 iterations.
iteration 1157: trace = 2.412629774238465 (1.52297e-08% change)
linmin: converged after 4 iterations.
iteration 1158: trace = 2.412629774098556 (5.79902e-09% change)
large trace change predicted (2.37378e-08%)
linmin: converged after 7 iterations.
iteration 1159: trace = 2.412629773525842 (2.37382e-08% change)
linmin: converged after 6 iterations.
iteration 1160: trace = 2.41262977323481 (1.20628e-08% change)
linmin: converged after 23 iterations.
iteration 1161: trace = 2.4126297731781 (2.35057e-09% change)
large trace change predicted (7.86384e-09%)
linmin: converged after 6 iterations.
iteration 1162: trace = 2.412629772988374 (7.86387e-09% change)
linmin: converged after 10 iterations.
iteration 1163: trace = 2.412629772801721 (7.73647e-09% change)
linmin: converged after 4 iterations.
iteration 1164: trace = 2.412629772738612 (2.61578e-09% change)
linmin: converged after 6 iterations.
iteration 1165: trace = 2.412629772656318 (3.41096e-09% change)
large trace change predicted (8.49693e-09%)
linmin: converged after 29 iterations.
iteration 1166: trace = 2.412629772451317 (8.49703e-09% change)
linmin: converged after 6 iterations.
iteration 1167: trace = 2.412629772424772 (1.10025e-09% change)
large trace change predicted (6.62217e-09%)
linmin: converged after 2 iterations.
iteration 1168: trace = 2.412629772265004 (6.62214e-09% change)
linmin: converged after 12 iterations.
iteration 1169: trace = 2.412629772217689 (1.96114e-09% change)
linmin: converged after 22 iterations.
iteration 1170: trace = 2.412629772171407 (1.91831e-09% change)
large trace change predicted (4.56178e-09%)
linmin: converged after 4 iterations.
iteration 1171: trace = 2.412629772061349 (4.56173e-09% change)
linmin: converged after 3 iterations.
iteration 1172: trace = 2.412629771978395 (3.43833e-09% change)
linmin: converged after 23 iterations.
iteration 1173: trace = 2.412629771870292 (4.48072e-09% change)
linmin: converged after 6 iterations.
iteration 1174: trace = 2.412629771677091 (8.0079e-09% change)
linmin: converged after 3 iterations.
iteration 1175: trace = 2.412629771578531 (4.08518e-09% change)
linmin: converged after 24 iterations.
iteration 1176: trace = 2.412629771400784 (7.36734e-09% change)
linmin: converged after 3 iterations.
iteration 1177: trace = 2.412629771106779 (1.21861e-08% change)
linmin: converged after 4 iterations.
iteration 1178: trace = 2.412629770816844 (1.20174e-08% change)
linmin: converged after 4 iterations.
iteration 1179: trace = 2.412629770432511 (1.59301e-08% change)
linmin: converged after 3 iterations.
iteration 1180: trace = 2.412629770139651 (1.21386e-08% change)
linmin: converged after 4 iterations.
iteration 1181: trace = 2.412629769998484 (5.85117e-09% change)
linmin: converged after 4 iterations.
iteration 1182: trace = 2.412629769799624 (8.24246e-09% change)
linmin: converged after 6 iterations.
iteration 1183: trace = 2.412629769495837 (1.25915e-08% change)
linmin: converged after 4 iterations.
iteration 1184: trace = 2.412629769466725 (1.20666e-09% change)
large trace change predicted (7.2298e-09%)
linmin: converged after 4 iterations.
iteration 1185: trace = 2.412629769292296 (7.22984e-09% change)
linmin: converged after 9 iterations.
iteration 1186: trace = 2.412629769190405 (4.22321e-09% change)
linmin: converged after 20 iterations.
iteration 1187: trace = 2.412629769163527 (1.11404e-09% change)
large trace change predicted (3.41711e-09%)
linmin: converged after 4 iterations.
iteration 1188: trace = 2.412629769081087 (3.41705e-09% change)
linmin: converged after 3 iterations.
iteration 1189: trace = 2.412629769046571 (1.43064e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1190: trace = 2.412629769024984 (8.94739e-10% change)
large trace change predicted (3.7042e-09%)
linmin: converged after 18 iterations.
iteration 1191: trace = 2.412629768935619 (3.70405e-09% change)
linmin: converged after 18 iterations.
iteration 1192: trace = 2.412629768911174 (1.01321e-09% change)
large trace change predicted (3.6588e-09%)
linmin: converged after 3 iterations.
iteration 1193: trace = 2.412629768822903 (3.65871e-09% change)
linmin: converged after 4 iterations.
iteration 1194: trace = 2.412629768713915 (4.51741e-09% change)
linmin: converged after 3 iterations.
iteration 1195: trace = 2.412629768649593 (2.66605e-09% change)
linmin: converged after 20 iterations.
iteration 1196: trace = 2.412629768567772 (3.39137e-09% change)
large trace change predicted (1.2651e-08%)
linmin: converged after 26 iterations.
iteration 1197: trace = 2.412629768262549 (1.2651e-08% change)
linmin: converged after 6 iterations.
iteration 1198: trace = 2.412629768204813 (2.39306e-09% change)
large trace change predicted (1.49944e-08%)
linmin: converged after 4 iterations.
iteration 1199: trace = 2.412629767843053 (1.49944e-08% change)
linmin: converged after 7 iterations.
iteration 1200: trace = 2.412629767641397 (8.35839e-09% change)
linmin: converged after 3 iterations.
iteration 1201: trace = 2.412629767510981 (5.40554e-09% change)
large trace change predicted (1.75094e-08%)
linmin: converged after 20 iterations.
iteration 1202: trace = 2.412629767088543 (1.75094e-08% change)
linmin: converged after 5 iterations.
iteration 1203: trace = 2.412629766844732 (1.01056e-08% change)
linmin: converged after 22 iterations.
iteration 1204: trace = 2.412629766789431 (2.29215e-09% change)
large trace change predicted (7.40759e-09%)
linmin: converged after 7 iterations.
iteration 1205: trace = 2.412629766610714 (7.40754e-09% change)
linmin: converged after 4 iterations.
iteration 1206: trace = 2.412629766545879 (2.68733e-09% change)
linmin: converged after 16 iterations.
iteration 1207: trace = 2.412629766491425 (2.25703e-09% change)
linmin: converged after 14 iterations.
iteration 1208: trace = 2.412629766410604 (3.34994e-09% change)
linmin: converged after 4 iterations.
iteration 1209: trace = 2.412629766322941 (3.63349e-09% change)
linmin: converged after 5 iterations.
iteration 1210: trace = 2.412629766300547 (9.28202e-10% change)
large trace change predicted (4.56964e-09%)
linmin: converged after 27 iterations.
iteration 1211: trace = 2.4126297661903 (4.56956e-09% change)
linmin: converged after 28 iterations.
iteration 1212: trace = 2.412629766159679 (1.26923e-09% change)
linmin: converged after 5 iterations.
iteration 1213: trace = 2.412629766107209 (2.17479e-09% change)
large trace change predicted (6.15387e-09%)
linmin: converged after 4 iterations.
iteration 1214: trace = 2.412629765958738 (6.15393e-09% change)
linmin: converged after 15 iterations.
iteration 1215: trace = 2.412629765937721 (8.71123e-10% change)
large trace change predicted (6.05422e-09%)
linmin: converged after 6 iterations.
iteration 1216: trace = 2.412629765791655 (6.0542e-09% change)
linmin: converged after 4 iterations.
iteration 1217: trace = 2.412629765696566 (3.94133e-09% change)
linmin: converged after 5 iterations.
iteration 1218: trace = 2.412629765652163 (1.84041e-09% change)
large trace change predicted (5.42084e-09%)
linmin: converged after 4 iterations.
iteration 1219: trace = 2.412629765521383 (5.42067e-09% change)
linmin: converged after 3 iterations.
iteration 1220: trace = 2.412629765292854 (9.47217e-09% change)
linmin: converged after 27 iterations.
iteration 1221: trace = 2.412629764865739 (1.77033e-08% change)
linmin: converged after 3 iterations.
iteration 1222: trace = 2.412629764759303 (4.41161e-09% change)
large trace change predicted (8.85154e-09%)
linmin: converged after 4 iterations.
iteration 1223: trace = 2.412629764545749 (8.85149e-09% change)
large trace change predicted (2.17488e-08%)
linmin: converged after 4 iterations.
iteration 1224: trace = 2.41262976402105 (2.1748e-08% change)
linmin: converged after 4 iterations.
iteration 1225: trace = 2.412629763896617 (5.15758e-09% change)
large trace change predicted (1.04014e-08%)
linmin: converged after 10 iterations.
iteration 1226: trace = 2.412629763645672 (1.04013e-08% change)
linmin: converged after 9 iterations.
iteration 1227: trace = 2.412629763491985 (6.37011e-09% change)
linmin: converged after 12 iterations.
iteration 1228: trace = 2.41262976344217 (2.06477e-09% change)
large trace change predicted (4.41001e-09%)
linmin: converged after 5 iterations.
iteration 1229: trace = 2.412629763335776 (4.40988e-09% change)
linmin: converged after 6 iterations.
iteration 1230: trace = 2.412629763253042 (3.42922e-09% change)
linmin: converged after 18 iterations.
iteration 1231: trace = 2.412629763224399 (1.18719e-09% change)
large trace change predicted (4.93031e-09%)
linmin: converged after 6 iterations.
iteration 1232: trace = 2.412629763105451 (4.93024e-09% change)
linmin: converged after 2 iterations.
iteration 1233: trace = 2.41262976305002 (2.29751e-09% change)
linmin: converged after 5 iterations.
iteration 1234: trace = 2.412629762988576 (2.54679e-09% change)
linmin: converged after 19 iterations.
iteration 1235: trace = 2.412629762925001 (2.63507e-09% change)
linmin: converged after 17 iterations.
iteration 1236: trace = 2.412629762860254 (2.68368e-09% change)
linmin: converged after 3 iterations.
iteration 1237: trace = 2.412629762793069 (2.78472e-09% change)
large trace change predicted (6.29148e-09%)
linmin: converged after 12 iterations.
iteration 1238: trace = 2.412629762641278 (6.2915e-09% change)
linmin: converged after 20 iterations.
iteration 1239: trace = 2.412629762605794 (1.4708e-09% change)
large trace change predicted (6.40834e-09%)
linmin: converged after 13 iterations.
iteration 1240: trace = 2.412629762451185 (6.40831e-09% change)
linmin: converged after 5 iterations.
iteration 1241: trace = 2.412629762323697 (5.28417e-09% change)
linmin: converged after 3 iterations.
iteration 1242: trace = 2.41262976226478 (2.44206e-09% change)
large trace change predicted (7.71381e-09%)
linmin: converged after 4 iterations.
iteration 1243: trace = 2.412629762078673 (7.71385e-09% change)
large trace change predicted (1.60411e-08%)
linmin: converged after 4 iterations.
iteration 1244: trace = 2.412629761691659 (1.60411e-08% change)
linmin: converged after 6 iterations.
iteration 1245: trace = 2.412629761629774 (2.56505e-09% change)
large trace change predicted (2.57066e-08%)
linmin: converged after 4 iterations.
iteration 1246: trace = 2.412629761009558 (2.57071e-08% change)
linmin: converged after 16 iterations.
iteration 1247: trace = 2.412629760625591 (1.59149e-08% change)
linmin: converged after 6 iterations.
iteration 1248: trace = 2.412629760544272 (3.37055e-09% change)
linmin: converged after 5 iterations.
iteration 1249: trace = 2.412629760413328 (5.42744e-09% change)
linmin: converged after 3 iterations.
iteration 1250: trace = 2.412629760264432 (6.1715e-09% change)
linmin: converged after 6 iterations.
iteration 1251: trace = 2.4126297602213 (1.78775e-09% change)
large trace change predicted (5.26641e-09%)
linmin: converged after 21 iterations.
iteration 1252: trace = 2.412629760094243 (5.26637e-09% change)
linmin: converged after 19 iterations.
iteration 1253: trace = 2.412629760044959 (2.04274e-09% change)
linmin: converged after 3 iterations.
iteration 1254: trace = 2.412629759973019 (2.9818e-09% change)
linmin: converged after 8 iterations.
iteration 1255: trace = 2.412629759890832 (3.40652e-09% change)
linmin: converged after 4 iterations.
iteration 1256: trace = 2.412629759817618 (3.03465e-09% change)
linmin: converged after 2 iterations.
iteration 1257: trace = 2.412629759793456 (1.00148e-09% change)
large trace change predicted (1.76927e-08%)
linmin: converged after 24 iterations.
iteration 1258: trace = 2.412629759366595 (1.76927e-08% change)
linmin: converged after 2 iterations.
iteration 1259: trace = 2.412629758539749 (3.42716e-08% change)
resetting CG direction...
linmin: converged after 9 iterations.
iteration 1260: trace = 2.412629757814551 (3.00584e-08% change)
linmin: converged after 3 iterations.
iteration 1261: trace = 2.412629757475903 (1.40365e-08% change)
linmin: converged after 2 iterations.
iteration 1262: trace = 2.412629757440358 (1.4733e-09% change)
linmin: converged after 3 iterations.
iteration 1263: trace = 2.412629757391596 (2.02113e-09% change)
linmin: converged after 2 iterations.
iteration 1264: trace = 2.412629757294078 (4.04196e-09% change)
linmin: converged after 4 iterations.
iteration 1265: trace = 2.412629757279372 (6.09525e-10% change)
large trace change predicted (3.28627e-09%)
linmin: converged after 4 iterations.
iteration 1266: trace = 2.412629757200087 (3.28627e-09% change)
linmin: converged after 5 iterations.
iteration 1267: trace = 2.412629757132211 (2.81338e-09% change)
linmin: converged after 8 iterations.
iteration 1268: trace = 2.412629757095654 (1.51522e-09% change)
large trace change predicted (3.03193e-09%)
linmin: converged after 23 iterations.
iteration 1269: trace = 2.41262975702251 (3.03172e-09% change)
linmin: converged after 4 iterations.
iteration 1270: trace = 2.412629756895682 (5.25685e-09% change)
linmin: converged after 4 iterations.
iteration 1271: trace = 2.412629756858187 (1.55409e-09% change)
large trace change predicted (1.02554e-08%)
linmin: converged after 4 iterations.
iteration 1272: trace = 2.412629756610763 (1.02554e-08% change)
linmin: converged after 4 iterations.
iteration 1273: trace = 2.41262975654644 (2.66612e-09% change)
large trace change predicted (9.45677e-09%)
linmin: converged after 15 iterations.
iteration 1274: trace = 2.412629756318284 (9.4567e-09% change)
linmin: converged after 4 iterations.
iteration 1275: trace = 2.412629756161828 (6.48488e-09% change)
linmin: converged after 4 iterations.
iteration 1276: trace = 2.41262975592667 (9.74698e-09% change)
linmin: converged after 17 iterations.
iteration 1277: trace = 2.412629755840423 (3.57478e-09% change)
linmin: converged after 21 iterations.
iteration 1278: trace = 2.412629755705498 (5.59246e-09% change)
linmin: converged after 5 iterations.
iteration 1279: trace = 2.412629755648356 (2.36845e-09% change)
linmin: converged after 2 iterations.
iteration 1280: trace = 2.412629755578045 (2.91428e-09% change)
linmin: converged after 4 iterations.
iteration 1281: trace = 2.412629755509844 (2.82683e-09% change)
linmin: converged after 4 iterations.
iteration 1282: trace = 2.412629755406726 (4.27409e-09% change)
linmin: converged after 13 iterations.
iteration 1283: trace = 2.412629755393111 (5.64354e-10% change)
large trace change predicted (2.95764e-09%)
linmin: converged after 4 iterations.
iteration 1284: trace = 2.412629755321753 (2.95765e-09% change)
linmin: converged after 4 iterations.
iteration 1285: trace = 2.412629755294154 (1.14395e-09% change)
linmin: converged after 25 iterations.
iteration 1286: trace = 2.412629755282462 (4.84616e-10% change)
large trace change predicted (2.30047e-09%)
linmin: converged after 5 iterations.
iteration 1287: trace = 2.412629755226958 (2.30058e-09% change)
linmin: converged after 4 iterations.
iteration 1288: trace = 2.412629755204038 (9.49996e-10% change)
linmin: converged after 8 iterations.
iteration 1289: trace = 2.41262975516616 (1.56998e-09% change)
linmin: converged after 12 iterations.
iteration 1290: trace = 2.412629755112498 (2.22423e-09% change)
linmin: converged after 19 iterations.
iteration 1291: trace = 2.412629755075933 (1.51557e-09% change)
linmin: converged after 10 iterations.
iteration 1292: trace = 2.412629755033724 (1.7495e-09% change)
large trace change predicted (3.91898e-09%)
linmin: converged after 20 iterations.
iteration 1293: trace = 2.412629754939174 (3.91895e-09% change)
linmin: converged after 10 iterations.
iteration 1294: trace = 2.412629754877637 (2.55064e-09% change)
large trace change predicted (5.84573e-09%)
linmin: converged after 8 iterations.
iteration 1295: trace = 2.412629754736601 (5.84572e-09% change)
linmin: converged after 4 iterations.
iteration 1296: trace = 2.412629754510858 (9.35674e-09% change)
linmin: converged after 23 iterations.
iteration 1297: trace = 2.412629754444356 (2.75641e-09% change)
linmin: converged after 5 iterations.
iteration 1298: trace = 2.41262975437153 (3.01852e-09% change)
large trace change predicted (8.36449e-09%)
linmin: converged after 14 iterations.
iteration 1299: trace = 2.412629754169724 (8.36457e-09% change)
linmin: converged after 4 iterations.
iteration 1300: trace = 2.412629754144384 (1.0503e-09% change)
large trace change predicted (3.95064e-09%)
linmin: converged after 25 iterations.
iteration 1301: trace = 2.412629754049071 (3.95059e-09% change)
linmin: converged after 6 iterations.
iteration 1302: trace = 2.412629753998836 (2.08216e-09% change)
linmin: converged after 8 iterations.
iteration 1303: trace = 2.41262975395666 (1.74815e-09% change)
linmin: converged after 18 iterations.
iteration 1304: trace = 2.412629753934212 (9.30411e-10% change)
large trace change predicted (2.17887e-09%)
linmin: converged after 27 iterations.
iteration 1305: trace = 2.412629753881643 (2.17891e-09% change)
linmin: converged after 20 iterations.
iteration 1306: trace = 2.41262975385131 (1.25726e-09% change)
linmin: converged after 33 iterations.
iteration 1307: trace = 2.412629753796222 (2.28333e-09% change)
linmin: converged after 4 iterations.
iteration 1308: trace = 2.412629753756786 (1.63457e-09% change)
linmin: converged after 17 iterations.
iteration 1309: trace = 2.412629753743622 (5.45616e-10% change)
linmin: converged after 4 iterations.
iteration 1310: trace = 2.412629753729929 (5.67538e-10% change)
large trace change predicted (1.55783e-09%)
linmin: converged after 4 iterations.
iteration 1311: trace = 2.412629753692345 (1.55781e-09% change)
linmin: converged after 9 iterations.
iteration 1312: trace = 2.412629753684235 (3.36146e-10% change)
large trace change predicted (1.9634e-09%)
linmin: converged after 5 iterations.
iteration 1313: trace = 2.412629753636868 (1.96329e-09% change)
linmin: converged after 16 iterations.
iteration 1314: trace = 2.412629753584214 (2.18245e-09% change)
linmin: converged after 9 iterations.
iteration 1315: trace = 2.412629753562221 (9.11581e-10% change)
large trace change predicted (2.65107e-09%)
linmin: converged after 4 iterations.
iteration 1316: trace = 2.412629753498263 (2.65095e-09% change)
linmin: converged after 6 iterations.
iteration 1317: trace = 2.412629753445835 (2.17306e-09% change)
linmin: converged after 9 iterations.
iteration 1318: trace = 2.412629753390819 (2.28035e-09% change)
large trace change predicted (6.89292e-09%)
linmin: converged after 12 iterations.
iteration 1319: trace = 2.412629753224519 (6.89291e-09% change)
linmin: converged after 24 iterations.
iteration 1320: trace = 2.412629753099822 (5.16852e-09% change)
linmin: converged after 15 iterations.
iteration 1321: trace = 2.412629753058134 (1.72789e-09% change)
linmin: converged after 4 iterations.
iteration 1322: trace = 2.412629752975014 (3.44519e-09% change)
linmin: converged after 18 iterations.
iteration 1323: trace = 2.41262975293754 (1.55326e-09% change)
linmin: converged after 16 iterations.
iteration 1324: trace = 2.41262975292436 (5.46279e-10% change)
large trace change predicted (2.35618e-09%)
linmin: converged after 23 iterations.
iteration 1325: trace = 2.412629752867514 (2.35621e-09% change)
linmin: converged after 8 iterations.
iteration 1326: trace = 2.412629752848756 (7.77487e-10% change)
linmin: converged after 7 iterations.
iteration 1327: trace = 2.412629752826945 (9.04016e-10% change)
linmin: converged after 4 iterations.
iteration 1328: trace = 2.412629752800048 (1.11483e-09% change)
linmin: converged after 6 iterations.
iteration 1329: trace = 2.412629752795185 (2.01573e-10% change)
resetting CG direction...
linmin: converged after 19 iterations.
iteration 1330: trace = 2.412629752790479 (1.95057e-10% change)
large trace change predicted (9.55535e-10%)
linmin: converged after 9 iterations.
iteration 1331: trace = 2.412629752767428 (9.55445e-10% change)
linmin: converged after 4 iterations.
iteration 1332: trace = 2.412629752755273 (5.03814e-10% change)
linmin: converged after 15 iterations.
iteration 1333: trace = 2.412629752736632 (7.72609e-10% change)
linmin: converged after 7 iterations.
iteration 1334: trace = 2.412629752703226 (1.38466e-09% change)
linmin: converged after 3 iterations.
iteration 1335: trace = 2.412629752678001 (1.04553e-09% change)
linmin: converged after 7 iterations.
iteration 1336: trace = 2.41262975265578 (9.21042e-10% change)
large trace change predicted (3.37974e-09%)
linmin: converged after 4 iterations.
iteration 1337: trace = 2.41262975257424 (3.3797e-09% change)
linmin: converged after 2 iterations.
iteration 1338: trace = 2.412629752538839 (1.46732e-09% change)
linmin: converged after 11 iterations.
iteration 1339: trace = 2.412629752494285 (1.84672e-09% change)
large trace change predicted (4.33282e-09%)
linmin: converged after 9 iterations.
iteration 1340: trace = 2.412629752389752 (4.33273e-09% change)
linmin: converged after 12 iterations.
iteration 1341: trace = 2.41262975227677 (4.68292e-09% change)
linmin: converged after 10 iterations.
iteration 1342: trace = 2.412629752216844 (2.48386e-09% change)
linmin: converged after 21 iterations.
iteration 1343: trace = 2.412629752136282 (3.33919e-09% change)
linmin: converged after 9 iterations.
iteration 1344: trace = 2.412629752115947 (8.42831e-10% change)
linmin: converged after 4 iterations.
iteration 1345: trace = 2.412629752083479 (1.34574e-09% change)
linmin: converged after 7 iterations.
iteration 1346: trace = 2.412629752053459 (1.24428e-09% change)
linmin: converged after 10 iterations.
iteration 1347: trace = 2.412629752043635 (4.07196e-10% change)
large trace change predicted (1.17762e-09%)
linmin: converged after 3 iterations.
iteration 1348: trace = 2.412629752015224 (1.1776e-09% change)
linmin: converged after 5 iterations.
iteration 1349: trace = 2.41262975198604 (1.20966e-09% change)
linmin: converged after 6 iterations.
iteration 1350: trace = 2.412629751981057 (2.06525e-10% change)
large trace change predicted (7.71756e-10%)
linmin: converged after 5 iterations.
iteration 1351: trace = 2.412629751962437 (7.71781e-10% change)
linmin: converged after 2 iterations.
iteration 1352: trace = 2.412629751934784 (1.14618e-09% change)
linmin: converged after 13 iterations.
iteration 1353: trace = 2.412629751924951 (4.07565e-10% change)
large trace change predicted (2.27047e-09%)
linmin: converged after 6 iterations.
iteration 1354: trace = 2.412629751870173 (2.27045e-09% change)
linmin: converged after 22 iterations.
iteration 1355: trace = 2.41262975183336 (1.52585e-09% change)
linmin: converged after 4 iterations.
iteration 1356: trace = 2.412629751817247 (6.67837e-10% change)
linmin: converged after 7 iterations.
iteration 1357: trace = 2.412629751788747 (1.18132e-09% change)
linmin: converged after 4 iterations.
iteration 1358: trace = 2.412629751737714 (2.11522e-09% change)
linmin: converged after 4 iterations.
iteration 1359: trace = 2.412629751709765 (1.15844e-09% change)
large trace change predicted (2.44778e-09%)
linmin: converged after 5 iterations.
iteration 1360: trace = 2.412629751650712 (2.44767e-09% change)
large trace change predicted (6.15912e-09%)
linmin: converged after 6 iterations.
iteration 1361: trace = 2.412629751502116 (6.15908e-09% change)
linmin: converged after 6 iterations.
iteration 1362: trace = 2.412629751473994 (1.16563e-09% change)
large trace change predicted (2.98533e-09%)
linmin: converged after 6 iterations.
iteration 1363: trace = 2.412629751401969 (2.98533e-09% change)
linmin: converged after 23 iterations.
iteration 1364: trace = 2.412629751273424 (5.32801e-09% change)
linmin: converged after 5 iterations.
iteration 1365: trace = 2.412629751242358 (1.28761e-09% change)
large trace change predicted (3.23907e-09%)
linmin: converged after 6 iterations.
iteration 1366: trace = 2.412629751164213 (3.23904e-09% change)
linmin: converged after 25 iterations.
iteration 1367: trace = 2.412629751115151 (2.03352e-09% change)
linmin: converged after 4 iterations.
iteration 1368: trace = 2.41262975109976 (6.37963e-10% change)
linmin: converged after 13 iterations.
iteration 1369: trace = 2.412629751074046 (1.06578e-09% change)
linmin: converged after 4 iterations.
iteration 1370: trace = 2.412629751045275 (1.19254e-09% change)
linmin: converged after 3 iterations.
iteration 1371: trace = 2.412629751029682 (6.46301e-10% change)
linmin: converged after 4 iterations.
iteration 1372: trace = 2.41262975101026 (8.05005e-10% change)
linmin: converged after 17 iterations.
iteration 1373: trace = 2.412629750975017 (1.46079e-09% change)
linmin: converged after 13 iterations.
iteration 1374: trace = 2.41262975096767 (3.04523e-10% change)
large trace change predicted (6.34961e-10%)
linmin: converged after 4 iterations.
iteration 1375: trace = 2.41262975095235 (6.34981e-10% change)
large trace change predicted (1.56294e-09%)
linmin: converged after 4 iterations.
iteration 1376: trace = 2.41262975091464 (1.56304e-09% change)
linmin: converged after 13 iterations.
iteration 1377: trace = 2.412629750907499 (2.95982e-10% change)
large trace change predicted (2.51112e-09%)
linmin: converged after 2 iterations.
iteration 1378: trace = 2.412629750846915 (2.5111e-09% change)
linmin: converged after 4 iterations.
iteration 1379: trace = 2.412629750822372 (1.01727e-09% change)
linmin: converged after 2 iterations.
iteration 1380: trace = 2.412629750787525 (1.44437e-09% change)
linmin: converged after 3 iterations.
iteration 1381: trace = 2.412629750735961 (2.13724e-09% change)
linmin: converged after 28 iterations.
iteration 1382: trace = 2.412629750686041 (2.06911e-09% change)
linmin: converged after 3 iterations.
iteration 1383: trace = 2.412629750652544 (1.38839e-09% change)
large trace change predicted (4.3807e-09%)
linmin: converged after 25 iterations.
iteration 1384: trace = 2.412629750546855 (4.38068e-09% change)
linmin: converged after 7 iterations.
iteration 1385: trace = 2.412629750387012 (6.62525e-09% change)
linmin: converged after 6 iterations.
iteration 1386: trace = 2.412629750366087 (8.67294e-10% change)
large trace change predicted (4.27266e-09%)
linmin: converged after 29 iterations.
iteration 1387: trace = 2.412629750263004 (4.27265e-09% change)
linmin: converged after 24 iterations.
iteration 1388: trace = 2.412629750210093 (2.19308e-09% change)
linmin: converged after 20 iterations.
iteration 1389: trace = 2.412629750186037 (9.97081e-10% change)
linmin: converged after 16 iterations.
iteration 1390: trace = 2.412629750143495 (1.76332e-09% change)
linmin: converged after 8 iterations.
iteration 1391: trace = 2.412629750106079 (1.55081e-09% change)
linmin: converged after 6 iterations.
iteration 1392: trace = 2.412629750095962 (4.19345e-10% change)
large trace change predicted (1.1752e-09%)
linmin: converged after 5 iterations.
iteration 1393: trace = 2.412629750067611 (1.17513e-09% change)
linmin: converged after 3 iterations.
iteration 1394: trace = 2.412629750053986 (5.64704e-10% change)
linmin: converged after 4 iterations.
iteration 1395: trace = 2.412629750040806 (5.46297e-10% change)
large trace change predicted (1.25483e-09%)
linmin: converged after 6 iterations.
iteration 1396: trace = 2.412629750010534 (1.25472e-09% change)
linmin: converged after 9 iterations.
iteration 1397: trace = 2.412629749969502 (1.70072e-09% change)
linmin: converged after 10 iterations.
iteration 1398: trace = 2.412629749905006 (2.67328e-09% change)
large trace change predicted (3.49327e-08%)
linmin: converged after 3 iterations.
iteration 1399: trace = 2.412629749062203 (3.49329e-08% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 1400: trace = 2.412629748818978 (1.00813e-08% change)
linmin: converged after 4 iterations.
iteration 1401: trace = 2.412629748703175 (4.79984e-09% change)
linmin: converged after 6 iterations.
iteration 1402: trace = 2.412629748595444 (4.4653e-09% change)
linmin: converged after 3 iterations.
iteration 1403: trace = 2.412629748518818 (3.17603e-09% change)
linmin: converged after 3 iterations.
iteration 1404: trace = 2.412629748454176 (2.67934e-09% change)
linmin: converged after 4 iterations.
iteration 1405: trace = 2.412629748435982 (7.54129e-10% change)
linmin: converged after 5 iterations.
iteration 1406: trace = 2.41262974840364 (1.3405e-09% change)
linmin: converged after 3 iterations.
iteration 1407: trace = 2.412629748368111 (1.47266e-09% change)
linmin: converged after 4 iterations.
iteration 1408: trace = 2.412629748346367 (9.01236e-10% change)
linmin: converged after 2 iterations.
iteration 1409: trace = 2.412629748310911 (1.46958e-09% change)
linmin: converged after 15 iterations.
iteration 1410: trace = 2.412629748288369 (9.34332e-10% change)
linmin: converged after 17 iterations.
iteration 1411: trace = 2.412629748277399 (4.54704e-10% change)
linmin: converged after 7 iterations.
iteration 1412: trace = 2.412629748257625 (8.1962e-10% change)
linmin: converged after 3 iterations.
iteration 1413: trace = 2.412629748254446 (1.31756e-10% change)
large trace change predicted (2.789e-10%)
linmin: converged after 13 iterations.
iteration 1414: trace = 2.412629748247716 (2.78956e-10% change)
large trace change predicted (1.31621e-09%)
linmin: converged after 2 iterations.
iteration 1415: trace = 2.412629748215961 (1.3162e-09% change)
linmin: converged after 3 iterations.
iteration 1416: trace = 2.412629748204464 (4.76535e-10% change)
large trace change predicted (1.73027e-09%)
linmin: converged after 18 iterations.
iteration 1417: trace = 2.412629748162717 (1.73032e-09% change)
linmin: converged after 23 iterations.
iteration 1418: trace = 2.412629748134357 (1.17552e-09% change)
linmin: converged after 4 iterations.
iteration 1419: trace = 2.412629748083245 (2.11848e-09% change)
linmin: converged after 14 iterations.
iteration 1420: trace = 2.412629748043848 (1.63296e-09% change)
linmin: converged after 20 iterations.
iteration 1421: trace = 2.412629747987947 (2.31704e-09% change)
linmin: converged after 12 iterations.
iteration 1422: trace = 2.412629747971979 (6.61837e-10% change)
large trace change predicted (1.37482e-09%)
linmin: converged after 15 iterations.
iteration 1423: trace = 2.412629747938809 (1.37486e-09% change)
linmin: converged after 21 iterations.
iteration 1424: trace = 2.412629747920434 (7.61584e-10% change)
linmin: converged after 3 iterations.
iteration 1425: trace = 2.412629747900895 (8.09883e-10% change)
linmin: converged after 3 iterations.
iteration 1426: trace = 2.412629747895985 (2.03506e-10% change)
large trace change predicted (7.66327e-10%)
linmin: converged after 8 iterations.
iteration 1427: trace = 2.412629747877495 (7.66388e-10% change)
linmin: converged after 4 iterations.
iteration 1428: trace = 2.412629747874149 (1.38696e-10% change)
linmin: converged after 4 iterations.
iteration 1429: trace = 2.412629747870973 (1.31627e-10% change)
large trace change predicted (4.546e-10%)
linmin: converged after 4 iterations.
iteration 1430: trace = 2.412629747860004 (4.54668e-10% change)
linmin: converged after 9 iterations.
iteration 1431: trace = 2.412629747848362 (4.82517e-10% change)
linmin: converged after 3 iterations.
iteration 1432: trace = 2.412629747843392 (2.06009e-10% change)
large trace change predicted (7.64629e-10%)
linmin: converged after 11 iterations.
iteration 1433: trace = 2.412629747824942 (7.64713e-10% change)
linmin: converged after 9 iterations.
iteration 1434: trace = 2.412629747819464 (2.27067e-10% change)
large trace change predicted (8.71153e-10%)
linmin: converged after 4 iterations.
iteration 1435: trace = 2.412629747798447 (8.71123e-10% change)
linmin: converged after 6 iterations.
iteration 1436: trace = 2.412629747784376 (5.8324e-10% change)
linmin: converged after 3 iterations.
iteration 1437: trace = 2.412629747764643 (8.17909e-10% change)
linmin: converged after 6 iterations.
iteration 1438: trace = 2.412629747760028 (1.91247e-10% change)
large trace change predicted (1.41585e-09%)
linmin: converged after 5 iterations.
iteration 1439: trace = 2.412629747725869 (1.41586e-09% change)
linmin: converged after 7 iterations.
iteration 1440: trace = 2.412629747707911 (7.44318e-10% change)
linmin: converged after 4 iterations.
iteration 1441: trace = 2.412629747684258 (9.80404e-10% change)
linmin: converged after 15 iterations.
iteration 1442: trace = 2.412629747655675 (1.18474e-09% change)
linmin: converged after 4 iterations.
iteration 1443: trace = 2.412629747617522 (1.58139e-09% change)
linmin: converged after 2 iterations.
iteration 1444: trace = 2.412629747607043 (4.34328e-10% change)
large trace change predicted (1.06005e-09%)
linmin: converged after 15 iterations.
iteration 1445: trace = 2.412629747581468 (1.06005e-09% change)
linmin: converged after 4 iterations.
iteration 1446: trace = 2.412629747567704 (5.70484e-10% change)
linmin: converged after 22 iterations.
iteration 1447: trace = 2.412629747558015 (4.01601e-10% change)
linmin: converged after 7 iterations.
iteration 1448: trace = 2.412629747551829 (2.56389e-10% change)
linmin: converged after 6 iterations.
iteration 1449: trace = 2.412629747544262 (3.13634e-10% change)
linmin: converged after 6 iterations.
iteration 1450: trace = 2.412629747539715 (1.88468e-10% change)
large trace change predicted (4.48538e-10%)
linmin: converged after 2 iterations.
iteration 1451: trace = 2.412629747528893 (4.48557e-10% change)
linmin: converged after 4 iterations.
iteration 1452: trace = 2.412629747527517 (5.70428e-11% change)
Finished solving for bands 1 to 10 after 1452 iterations.
tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431
elapsed time for k point: 45.196547508239746
solve_kpoint (0.333333,0,0):
Solving for bands 1 to 10...
linmin: converged after 4 iterations.
iteration 1: trace = 2.507714551633548 (1.59188% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.48527977029592 (0.89865% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.473301122559681 (0.483148% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.471539232112235 (0.0712618% change)
large trace change predicted (0.219366%)
linmin: converged after 3 iterations.
iteration 5: trace = 2.466060133847849 (0.221934% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.464718420203901 (0.054422% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.463636719395522 (0.043897% change)
linmin: converged after 3 iterations.
iteration 8: trace = 2.462594065362243 (0.0423307% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.462287934541995 (0.012432% change)
linmin: converged after 3 iterations.
iteration 10: trace = 2.461753185618692 (0.0217199% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.461485402974851 (0.0108783% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.461341152138847 (0.00586049% change)
large trace change predicted (0.012983%)
linmin: converged after 3 iterations.
iteration 13: trace = 2.461021024881487 (0.0130071% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.460940680168531 (0.00326474% change)
large trace change predicted (0.00700935%)
linmin: converged after 4 iterations.
iteration 15: trace = 2.460768388846517 (0.00700128% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.46065647507257 (0.00454802% change)
linmin: converged after 4 iterations.
iteration 17: trace = 2.460572010614669 (0.00343266% change)
linmin: converged after 3 iterations.
iteration 18: trace = 2.460447819716967 (0.00504736% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.460370644233083 (0.00313669% change)
large trace change predicted (0.00795705%)
linmin: converged after 3 iterations.
iteration 20: trace = 2.46017460068774 (0.00796837% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.45992055593473 (0.0103268% change)
linmin: converged after 3 iterations.
iteration 22: trace = 2.459713842813738 (0.0084036% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.459366490491965 (0.0141227% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.459092658308015 (0.0111349% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.458659817174203 (0.0176032% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.458376746196281 (0.0115139% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.458263627508388 (0.00460146% change)
large trace change predicted (0.0113346%)
linmin: converged after 4 iterations.
iteration 28: trace = 2.457987269830834 (0.0112426% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.457775312008254 (0.0086236% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.457672500730186 (0.00418319% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.457501693309859 (0.00695021% change)
linmin: converged after 4 iterations.
iteration 32: trace = 2.457365668694102 (0.00553523% change)
linmin: converged after 4 iterations.
iteration 33: trace = 2.457317190344751 (0.0019728% change)
large trace change predicted (0.00496167%)
linmin: converged after 4 iterations.
iteration 34: trace = 2.457195706844922 (0.00494387% change)
linmin: converged after 4 iterations.
iteration 35: trace = 2.45714422432063 (0.0020952% change)
linmin: converged after 4 iterations.
iteration 36: trace = 2.45708219454866 (0.0025245% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.457026720594834 (0.00225774% change)
linmin: converged after 3 iterations.
iteration 38: trace = 2.456984567037049 (0.00171565% change)
linmin: converged after 15 iterations.
iteration 39: trace = 2.456939445048623 (0.0018365% change)
linmin: converged after 3 iterations.
iteration 40: trace = 2.456869640059288 (0.00284118% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.456833157655992 (0.00148493% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.456763705423465 (0.00282694% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.456634692545203 (0.00525147% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.456572871950935 (0.00251651% change)
linmin: converged after 3 iterations.
iteration 45: trace = 2.456461041145713 (0.00455241% change)
large trace change predicted (0.00975498%)
linmin: converged after 4 iterations.
iteration 46: trace = 2.456218757351032 (0.00986361% change)
linmin: converged after 4 iterations.
iteration 47: trace = 2.456161867025414 (0.0023162% change)
large trace change predicted (0.0100925%)
linmin: converged after 4 iterations.
iteration 48: trace = 2.455911103666164 (0.0102101% change)
linmin: converged after 3 iterations.
iteration 49: trace = 2.455767110949883 (0.00586328% change)
linmin: converged after 3 iterations.
iteration 50: trace = 2.455708319050391 (0.00239406% change)
large trace change predicted (0.00907578%)
linmin: converged after 3 iterations.
iteration 51: trace = 2.455484719350746 (0.00910572% change)
linmin: converged after 3 iterations.
iteration 52: trace = 2.455407549209439 (0.00314282% change)
linmin: converged after 13 iterations.
iteration 53: trace = 2.45534593290585 (0.00250944% change)
large trace change predicted (0.0050887%)
linmin: converged after 3 iterations.
iteration 54: trace = 2.455220696591177 (0.00510069% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.455180284408074 (0.00164598% change)
linmin: converged after 3 iterations.
iteration 56: trace = 2.455132997929369 (0.00192601% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.455083906425762 (0.00199957% change)
linmin: converged after 3 iterations.
iteration 58: trace = 2.455066887770354 (0.000693203% change)
linmin: converged after 3 iterations.
iteration 59: trace = 2.455040101706986 (0.00109106% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.455008609947706 (0.00128275% change)
linmin: converged after 4 iterations.
iteration 61: trace = 2.454995317181518 (0.000541456% change)
large trace change predicted (0.00171729%)
linmin: converged after 3 iterations.
iteration 62: trace = 2.454953090393324 (0.00172005% change)
linmin: converged after 3 iterations.
iteration 63: trace = 2.454877422579907 (0.0030823% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.454855121962825 (0.000908425% change)
large trace change predicted (0.00569416%)
linmin: converged after 4 iterations.
iteration 65: trace = 2.454715532943804 (0.0056864% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.454625694251667 (0.00365991% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.45457607775767 (0.00202137% change)
large trace change predicted (0.0062662%)
linmin: converged after 4 iterations.
iteration 68: trace = 2.454422750902177 (0.00624677% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.454354229883569 (0.00279178% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 2.454327706739201 (0.00108066% change)
linmin: converged after 5 iterations.
iteration 71: trace = 2.454278091582933 (0.00202156% change)
linmin: converged after 3 iterations.
iteration 72: trace = 2.45424373064204 (0.00140005% change)
linmin: converged after 4 iterations.
iteration 73: trace = 2.454222970770071 (0.00084588% change)
linmin: converged after 4 iterations.
iteration 74: trace = 2.454185533507981 (0.00152543% change)
linmin: converged after 4 iterations.
iteration 75: trace = 2.454171305226925 (0.000579757% change)
linmin: converged after 3 iterations.
iteration 76: trace = 2.45415334717542 (0.000731739% change)
linmin: converged after 3 iterations.
iteration 77: trace = 2.45413605986308 (0.000704413% change)
linmin: converged after 3 iterations.
iteration 78: trace = 2.454128426043217 (0.00031106% change)
linmin: converged after 3 iterations.
iteration 79: trace = 2.454117302998195 (0.000453239% change)
linmin: converged after 3 iterations.
iteration 80: trace = 2.454101532760824 (0.000642605% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.454096037606968 (0.000223917% change)
large trace change predicted (0.000569323%)
linmin: converged after 3 iterations.
iteration 82: trace = 2.454082067399763 (0.000569262% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.454062987198802 (0.000777491% change)
linmin: converged after 4 iterations.
iteration 84: trace = 2.454051739425085 (0.000458334% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.454031604529348 (0.000820479% change)
linmin: converged after 17 iterations.
iteration 86: trace = 2.454004746007284 (0.00109447% change)
linmin: converged after 3 iterations.
iteration 87: trace = 2.453991995852274 (0.000519567% change)
large trace change predicted (0.00138546%)
linmin: converged after 4 iterations.
iteration 88: trace = 2.453958007958718 (0.00138501% change)
linmin: converged after 7 iterations.
iteration 89: trace = 2.453919475118923 (0.00157024% change)
linmin: converged after 4 iterations.
iteration 90: trace = 2.45389509654625 (0.000993459% change)
linmin: converged after 5 iterations.
iteration 91: trace = 2.453860912196914 (0.00139307% change)
linmin: converged after 8 iterations.
iteration 92: trace = 2.453828045147867 (0.00133941% change)
linmin: converged after 3 iterations.
iteration 93: trace = 2.45382085605784 (0.000292975% change)
large trace change predicted (0.00127944%)
linmin: converged after 3 iterations.
iteration 94: trace = 2.453789463063369 (0.00127936% change)
linmin: converged after 4 iterations.
iteration 95: trace = 2.453782532229236 (0.000282455% change)
large trace change predicted (0.000822373%)
linmin: converged after 4 iterations.
iteration 96: trace = 2.453762367988812 (0.000821765% change)
linmin: converged after 3 iterations.
iteration 97: trace = 2.453746815140803 (0.000633839% change)
linmin: converged after 3 iterations.
iteration 98: trace = 2.453734287686709 (0.000510545% change)
linmin: converged after 13 iterations.
iteration 99: trace = 2.453728236162154 (0.000246625% change)
large trace change predicted (0.000526958%)
linmin: converged after 3 iterations.
iteration 100: trace = 2.453715304161855 (0.000527036% change)
linmin: converged after 4 iterations.
iteration 101: trace = 2.453709000793436 (0.000256891% change)
linmin: converged after 3 iterations.
iteration 102: trace = 2.453701670772158 (0.000298733% change)
large trace change predicted (0.000652204%)
linmin: converged after 4 iterations.
iteration 103: trace = 2.453685674496181 (0.000651926% change)
linmin: converged after 3 iterations.
iteration 104: trace = 2.453674834695103 (0.000441777% change)
large trace change predicted (0.000946993%)
linmin: converged after 4 iterations.
iteration 105: trace = 2.453651609675684 (0.000946545% change)
large trace change predicted (0.00211292%)
linmin: converged after 3 iterations.
iteration 106: trace = 2.45359960969257 (0.00211931% change)
linmin: converged after 5 iterations.
iteration 107: trace = 2.45358312717749 (0.000671771% change)
large trace change predicted (0.00179328%)
linmin: converged after 3 iterations.
iteration 108: trace = 2.453538953603838 (0.00180039% change)
linmin: converged after 3 iterations.
iteration 109: trace = 2.453478212583598 (0.00247568% change)
linmin: converged after 3 iterations.
iteration 110: trace = 2.453465057397219 (0.000536187% change)
large trace change predicted (0.00221868%)
linmin: converged after 4 iterations.
iteration 111: trace = 2.453410536309189 (0.00222223% change)
linmin: converged after 3 iterations.
iteration 112: trace = 2.453386131071423 (0.000994752% change)
linmin: converged after 3 iterations.
iteration 113: trace = 2.453376698178058 (0.000384485% change)
large trace change predicted (0.00113233%)
linmin: converged after 3 iterations.
iteration 114: trace = 2.453348916706636 (0.00113238% change)
linmin: converged after 3 iterations.
iteration 115: trace = 2.453338668721301 (0.000417715% change)
linmin: converged after 4 iterations.
iteration 116: trace = 2.45332850971714 (0.00041409% change)
linmin: converged after 3 iterations.
iteration 117: trace = 2.453315900344541 (0.000513971% change)
linmin: converged after 5 iterations.
iteration 118: trace = 2.453302028512225 (0.000565434% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.453296318097463 (0.000232765% change)
large trace change predicted (0.000597339%)
linmin: converged after 3 iterations.
iteration 120: trace = 2.453281660805391 (0.000597455% change)
linmin: converged after 3 iterations.
iteration 121: trace = 2.453275733121448 (0.000241623% change)
linmin: converged after 3 iterations.
iteration 122: trace = 2.453264048572746 (0.000476285% change)
linmin: converged after 3 iterations.
iteration 123: trace = 2.453247330884551 (0.000681449% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.453237120368956 (0.000416205% change)
large trace change predicted (0.00104381%)
linmin: converged after 3 iterations.
iteration 125: trace = 2.453211463999542 (0.00104582% change)
linmin: converged after 3 iterations.
iteration 126: trace = 2.453162178756833 (0.00200903% change)
linmin: converged after 3 iterations.
iteration 127: trace = 2.453138441524889 (0.000967622% change)
large trace change predicted (0.00310521%)
linmin: converged after 3 iterations.
iteration 128: trace = 2.453061970998888 (0.0031173% change)
linmin: converged after 3 iterations.
iteration 129: trace = 2.452970240929354 (0.00373948% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.452952080637691 (0.000740342% change)
linmin: converged after 4 iterations.
iteration 131: trace = 2.452919428590261 (0.00133114% change)
linmin: converged after 3 iterations.
iteration 132: trace = 2.45289691913365 (0.000917664% change)
linmin: converged after 3 iterations.
iteration 133: trace = 2.452890157235454 (0.00027567% change)
large trace change predicted (0.00125961%)
linmin: converged after 3 iterations.
iteration 134: trace = 2.452859246188432 (0.0012602% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.452842821226226 (0.000669627% change)
linmin: converged after 4 iterations.
iteration 136: trace = 2.452828921086942 (0.000566697% change)
linmin: converged after 6 iterations.
iteration 137: trace = 2.452814395156807 (0.000592213% change)
linmin: converged after 11 iterations.
iteration 138: trace = 2.452798068000915 (0.000665652% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.452783009252627 (0.000613944% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 140: trace = 2.452772927790512 (0.000411022% change)
linmin: converged after 3 iterations.
iteration 141: trace = 2.452765649094527 (0.000296754% change)
linmin: converged after 3 iterations.
iteration 142: trace = 2.452757495527033 (0.000332424% change)
linmin: converged after 3 iterations.
iteration 143: trace = 2.452750554577612 (0.000282986% change)
linmin: converged after 5 iterations.
iteration 144: trace = 2.452740327764536 (0.000416954% change)
linmin: converged after 3 iterations.
iteration 145: trace = 2.452727668231187 (0.00051614% change)
linmin: converged after 6 iterations.
iteration 146: trace = 2.452721604178562 (0.000247237% change)
large trace change predicted (0.000693753%)
linmin: converged after 3 iterations.
iteration 147: trace = 2.452704589129357 (0.000693724% change)
linmin: converged after 4 iterations.
iteration 148: trace = 2.452684248854568 (0.000829303% change)
linmin: converged after 3 iterations.
iteration 149: trace = 2.45267614319453 (0.000330482% change)
large trace change predicted (0.000964309%)
linmin: converged after 4 iterations.
iteration 150: trace = 2.452652549290144 (0.00096197% change)
linmin: converged after 4 iterations.
iteration 151: trace = 2.452626803415319 (0.00104972% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.452616705048951 (0.000411738% change)
linmin: converged after 4 iterations.
iteration 153: trace = 2.452596980902835 (0.000804211% change)
linmin: converged after 9 iterations.
iteration 154: trace = 2.452583108816331 (0.00056561% change)
linmin: converged after 20 iterations.
iteration 155: trace = 2.452578304129146 (0.000195903% change)
linmin: converged after 4 iterations.
iteration 156: trace = 2.45256876674269 (0.000388873% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.452560262649758 (0.000346743% change)
linmin: converged after 3 iterations.
iteration 158: trace = 2.452558275638176 (8.10179e-05% change)
large trace change predicted (0.000299932%)
linmin: converged after 3 iterations.
iteration 159: trace = 2.452550921985148 (0.000299836% change)
linmin: converged after 3 iterations.
iteration 160: trace = 2.452546610102247 (0.000175812% change)
linmin: converged after 4 iterations.
iteration 161: trace = 2.452544820292672 (7.29776e-05% change)
large trace change predicted (0.000200659%)
linmin: converged after 3 iterations.
iteration 162: trace = 2.452539898709751 (0.000200673% change)
linmin: converged after 3 iterations.
iteration 163: trace = 2.452536610230977 (0.000134085% change)
linmin: converged after 3 iterations.
iteration 164: trace = 2.452531722835503 (0.000199279% change)
linmin: converged after 3 iterations.
iteration 165: trace = 2.452526119860102 (0.000228457% change)
linmin: converged after 3 iterations.
iteration 166: trace = 2.452518763737087 (0.000299941% change)
linmin: converged after 7 iterations.
iteration 167: trace = 2.452513062704793 (0.000232456% change)
large trace change predicted (0.000772359%)
linmin: converged after 3 iterations.
iteration 168: trace = 2.452494092222757 (0.000773515% change)
linmin: converged after 3 iterations.
iteration 169: trace = 2.452489305340419 (0.000195184% change)
large trace change predicted (0.000667115%)
linmin: converged after 3 iterations.
iteration 170: trace = 2.452472924104565 (0.000667945% change)
linmin: converged after 3 iterations.
iteration 171: trace = 2.452456769929521 (0.000658691% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.45245074264355 (0.000245766% change)
large trace change predicted (0.00062741%)
linmin: converged after 3 iterations.
iteration 173: trace = 2.452435341557268 (0.00062799% change)
linmin: converged after 3 iterations.
iteration 174: trace = 2.452422726674879 (0.000514383% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.452419119529659 (0.000147085% change)
large trace change predicted (0.000389908%)
linmin: converged after 5 iterations.
iteration 176: trace = 2.452409555498929 (0.000389984% change)
linmin: converged after 3 iterations.
iteration 177: trace = 2.452400310371281 (0.000376982% change)
linmin: converged after 4 iterations.
iteration 178: trace = 2.452397904127026 (9.8118e-05% change)
large trace change predicted (0.000258068%)
linmin: converged after 4 iterations.
iteration 179: trace = 2.452391574551021 (0.000258098% change)
linmin: converged after 3 iterations.
iteration 180: trace = 2.452387378243408 (0.000171111% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.452386157536499 (4.97763e-05% change)
large trace change predicted (0.000181182%)
linmin: converged after 3 iterations.
iteration 182: trace = 2.452381714103697 (0.000181188% change)
linmin: converged after 3 iterations.
iteration 183: trace = 2.452377832663401 (0.000158272% change)
linmin: converged after 2 iterations.
iteration 184: trace = 2.452376974923948 (3.49758e-05% change)
large trace change predicted (0.000153338%)
linmin: converged after 3 iterations.
iteration 185: trace = 2.452373214647471 (0.000153332% change)
linmin: converged after 12 iterations.
iteration 186: trace = 2.452368906581191 (0.000175669% change)
linmin: converged after 5 iterations.
iteration 187: trace = 2.452367047636557 (7.5802e-05% change)
large trace change predicted (0.000415294%)
linmin: converged after 4 iterations.
iteration 188: trace = 2.452356864268545 (0.000415247% change)
linmin: converged after 5 iterations.
iteration 189: trace = 2.452348944393626 (0.00032295% change)
linmin: converged after 3 iterations.
iteration 190: trace = 2.452345788864918 (0.000128674% change)
large trace change predicted (0.000553043%)
linmin: converged after 6 iterations.
iteration 191: trace = 2.45233223540891 (0.000552675% change)
linmin: converged after 3 iterations.
iteration 192: trace = 2.452324837424832 (0.000301672% change)
linmin: converged after 3 iterations.
iteration 193: trace = 2.452318319053605 (0.000265804% change)
linmin: converged after 3 iterations.
iteration 194: trace = 2.45231070137328 (0.000310632% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.452305458110806 (0.000213809% change)
linmin: converged after 3 iterations.
iteration 196: trace = 2.452300587509159 (0.000198613% change)
linmin: converged after 3 iterations.
iteration 197: trace = 2.452294091542742 (0.000264893% change)
linmin: converged after 4 iterations.
iteration 198: trace = 2.452292912070035 (4.80967e-05% change)
large trace change predicted (0.000207507%)
linmin: converged after 3 iterations.
iteration 199: trace = 2.452287823960394 (0.000207484% change)
linmin: converged after 3 iterations.
iteration 200: trace = 2.452285260995919 (0.000104513% change)
linmin: converged after 4 iterations.
iteration 201: trace = 2.4522837884962 (6.0046e-05% change)
linmin: converged after 3 iterations.
iteration 202: trace = 2.452281464401078 (9.47727e-05% change)
linmin: converged after 3 iterations.
iteration 203: trace = 2.45227843727108 (0.000123441% change)
linmin: converged after 3 iterations.
iteration 204: trace = 2.452277298708132 (4.64288e-05% change)
large trace change predicted (0.000105064%)
linmin: converged after 3 iterations.
iteration 205: trace = 2.452274721714739 (0.000105086% change)
linmin: converged after 3 iterations.
iteration 206: trace = 2.452269795239167 (0.000200894% change)
linmin: converged after 4 iterations.
iteration 207: trace = 2.452267937130898 (7.5771e-05% change)
large trace change predicted (0.000293161%)
linmin: converged after 3 iterations.
iteration 208: trace = 2.45226074358603 (0.000293343% change)
linmin: converged after 3 iterations.
iteration 209: trace = 2.452249802005526 (0.000446184% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 210: trace = 2.452245457700151 (0.000177156% change)
linmin: converged after 3 iterations.
iteration 211: trace = 2.452238289401174 (0.000292316% change)
linmin: converged after 4 iterations.
iteration 212: trace = 2.452234390465577 (0.000158995% change)
linmin: converged after 3 iterations.
iteration 213: trace = 2.452232924507626 (5.97805e-05% change)
large trace change predicted (0.000175069%)
linmin: converged after 4 iterations.
iteration 214: trace = 2.45222863148775 (0.000175066% change)
linmin: converged after 5 iterations.
iteration 215: trace = 2.452226721219942 (7.78993e-05% change)
linmin: converged after 4 iterations.
iteration 216: trace = 2.45222534804256 (5.59972e-05% change)
linmin: converged after 9 iterations.
iteration 217: trace = 2.452222868519007 (0.000101113% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.452220762859493 (8.58674e-05% change)
linmin: converged after 7 iterations.
iteration 219: trace = 2.452219636720598 (4.59232e-05% change)
linmin: converged after 4 iterations.
iteration 220: trace = 2.452217637205398 (8.1539e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.452214951097599 (0.000109538% change)
linmin: converged after 3 iterations.
iteration 222: trace = 2.452213930282483 (4.16283e-05% change)
large trace change predicted (0.000173197%)
linmin: converged after 3 iterations.
iteration 223: trace = 2.452209680537733 (0.000173303% change)
linmin: converged after 4 iterations.
iteration 224: trace = 2.452207756844769 (7.84474e-05% change)
large trace change predicted (0.000170329%)
linmin: converged after 4 iterations.
iteration 225: trace = 2.452203577183352 (0.000170445% change)
linmin: converged after 3 iterations.
iteration 226: trace = 2.452199205407226 (0.00017828% change)
linmin: converged after 14 iterations.
iteration 227: trace = 2.452195167792297 (0.000164653% change)
linmin: converged after 3 iterations.
iteration 228: trace = 2.45219226877402 (0.000118221% change)
large trace change predicted (0.000333656%)
linmin: converged after 5 iterations.
iteration 229: trace = 2.452184081873663 (0.000333861% change)
linmin: converged after 4 iterations.
iteration 230: trace = 2.452181174446548 (0.000118565% change)
linmin: converged after 3 iterations.
iteration 231: trace = 2.45217666841967 (0.000183756% change)
linmin: converged after 13 iterations.
iteration 232: trace = 2.452169564390597 (0.000289703% change)
linmin: converged after 3 iterations.
iteration 233: trace = 2.452168023595653 (6.2834e-05% change)
large trace change predicted (0.000128892%)
linmin: converged after 3 iterations.
iteration 234: trace = 2.452164861203628 (0.000128963% change)
linmin: converged after 3 iterations.
iteration 235: trace = 2.452162710524145 (8.77054e-05% change)
linmin: converged after 13 iterations.
iteration 236: trace = 2.452161604180763 (4.51171e-05% change)
large trace change predicted (9.08194e-05%)
linmin: converged after 3 iterations.
iteration 237: trace = 2.452159376422024 (9.08488e-05% change)
linmin: converged after 3 iterations.
iteration 238: trace = 2.452156221407155 (0.000128663% change)
linmin: converged after 4 iterations.
iteration 239: trace = 2.452155384533807 (3.41281e-05% change)
large trace change predicted (9.34824e-05%)
linmin: converged after 3 iterations.
iteration 240: trace = 2.452153091713957 (9.35023e-05% change)
linmin: converged after 7 iterations.
iteration 241: trace = 2.452150426821385 (0.000108676% change)
linmin: converged after 3 iterations.
iteration 242: trace = 2.452149526342722 (3.6722e-05% change)
large trace change predicted (0.000149021%)
linmin: converged after 3 iterations.
iteration 243: trace = 2.452145872560898 (0.000149003% change)
linmin: converged after 5 iterations.
iteration 244: trace = 2.45214298620249 (0.000117708% change)
linmin: converged after 4 iterations.
iteration 245: trace = 2.452141482734362 (6.13124e-05% change)
large trace change predicted (0.00022647%)
linmin: converged after 5 iterations.
iteration 246: trace = 2.452135931910722 (0.000226367% change)
linmin: converged after 4 iterations.
iteration 247: trace = 2.452127131915843 (0.000358871% change)
linmin: converged after 3 iterations.
iteration 248: trace = 2.452124408591246 (0.00011106% change)
large trace change predicted (0.000415328%)
linmin: converged after 6 iterations.
iteration 249: trace = 2.452114234002913 (0.00041493% change)
linmin: converged after 3 iterations.
iteration 250: trace = 2.452107914802179 (0.000257705% change)
linmin: converged after 6 iterations.
iteration 251: trace = 2.452104602178825 (0.000135093% change)
linmin: converged after 3 iterations.
iteration 252: trace = 2.452098395005796 (0.000253137% change)
linmin: converged after 3 iterations.
iteration 253: trace = 2.45209443064365 (0.000161672% change)
linmin: converged after 3 iterations.
iteration 254: trace = 2.452092772278772 (6.76306e-05% change)
linmin: converged after 4 iterations.
iteration 255: trace = 2.452090136890444 (0.000107475% change)
linmin: converged after 3 iterations.
iteration 256: trace = 2.452088641061405 (6.10022e-05% change)
linmin: converged after 3 iterations.
iteration 257: trace = 2.452087588706631 (4.29167e-05% change)
large trace change predicted (8.8259e-05%)
linmin: converged after 3 iterations.
iteration 258: trace = 2.452085424452013 (8.82618e-05% change)
linmin: converged after 10 iterations.
iteration 259: trace = 2.452084439140825 (4.01826e-05% change)
linmin: converged after 4 iterations.
iteration 260: trace = 2.452083425783212 (4.13264e-05% change)
large trace change predicted (0.000113263%)
linmin: converged after 3 iterations.
iteration 261: trace = 2.452080648183233 (0.000113275% change)
linmin: converged after 3 iterations.
iteration 262: trace = 2.4520794724905 (4.79468e-05% change)
large trace change predicted (0.000152164%)
linmin: converged after 3 iterations.
iteration 263: trace = 2.452075740472779 (0.000152198% change)
linmin: converged after 4 iterations.
iteration 264: trace = 2.45207119873577 (0.00018522% change)
linmin: converged after 4 iterations.
iteration 265: trace = 2.452068341076811 (0.000116541% change)
linmin: converged after 4 iterations.
iteration 266: trace = 2.452065201190418 (0.000128051% change)
large trace change predicted (0.00034389%)
linmin: converged after 3 iterations.
iteration 267: trace = 2.452056759774224 (0.000344258% change)
linmin: converged after 3 iterations.
iteration 268: trace = 2.452053194509233 (0.000145399% change)
linmin: converged after 4 iterations.
iteration 269: trace = 2.452047723607067 (0.000223115% change)
linmin: converged after 5 iterations.
iteration 270: trace = 2.452038853922894 (0.000361726% change)
linmin: converged after 13 iterations.
iteration 271: trace = 2.4520373990617 (5.93327e-05% change)
large trace change predicted (0.000248269%)
linmin: converged after 3 iterations.
iteration 272: trace = 2.452031304744767 (0.000248541% change)
linmin: converged after 4 iterations.
iteration 273: trace = 2.452027971885439 (0.000135922% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.45202680788906 (4.74708e-05% change)
linmin: converged after 3 iterations.
iteration 275: trace = 2.452024540324916 (9.24772e-05% change)
linmin: converged after 3 iterations.
iteration 276: trace = 2.45202209499959 (9.97268e-05% change)
linmin: converged after 3 iterations.
iteration 277: trace = 2.452021538766743 (2.26847e-05% change)
large trace change predicted (0.000116655%)
linmin: converged after 4 iterations.
iteration 278: trace = 2.452018677919659 (0.000116673% change)
linmin: converged after 3 iterations.
iteration 279: trace = 2.452014190357183 (0.000183015% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 280: trace = 2.45201075481463 (0.000140111% change)
linmin: converged after 2 iterations.
iteration 281: trace = 2.452008901592415 (7.55797e-05% change)
linmin: converged after 3 iterations.
iteration 282: trace = 2.452007292555813 (6.56212e-05% change)
linmin: converged after 5 iterations.
iteration 283: trace = 2.452006558444449 (2.99392e-05% change)
large trace change predicted (9.44662e-05%)
linmin: converged after 3 iterations.
iteration 284: trace = 2.452004242936367 (9.44332e-05% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.452003286760036 (3.89957e-05% change)
large trace change predicted (7.91395e-05%)
linmin: converged after 3 iterations.
iteration 286: trace = 2.452001347150246 (7.91031e-05% change)
large trace change predicted (0.000166942%)
linmin: converged after 4 iterations.
iteration 287: trace = 2.451997258366128 (0.000166753% change)
linmin: converged after 3 iterations.
iteration 288: trace = 2.451995532160505 (7.04e-05% change)
large trace change predicted (0.000147482%)
linmin: converged after 4 iterations.
iteration 289: trace = 2.451991921852341 (0.00014724% change)
linmin: converged after 3 iterations.
iteration 290: trace = 2.451986673104741 (0.000214061% change)
linmin: converged after 27 iterations.
iteration 291: trace = 2.451984254947535 (9.86204e-05% change)
linmin: converged after 3 iterations.
iteration 292: trace = 2.4519805314833 (0.000151855% change)
linmin: converged after 4 iterations.
iteration 293: trace = 2.45197502893073 (0.000224413% change)
linmin: converged after 4 iterations.
iteration 294: trace = 2.451974197928204 (3.38912e-05% change)
large trace change predicted (0.000134969%)
linmin: converged after 3 iterations.
iteration 295: trace = 2.451970890075463 (0.000134906% change)
linmin: converged after 4 iterations.
iteration 296: trace = 2.451969462637186 (5.8216e-05% change)
linmin: converged after 4 iterations.
iteration 297: trace = 2.451968793048388 (2.73082e-05% change)
large trace change predicted (7.04748e-05%)
linmin: converged after 3 iterations.
iteration 298: trace = 2.451967065141929 (7.04702e-05% change)
linmin: converged after 3 iterations.
iteration 299: trace = 2.451965799783021 (5.16059e-05% change)
linmin: converged after 4 iterations.
iteration 300: trace = 2.451965354926958 (1.81428e-05% change)
large trace change predicted (4.14451e-05%)
linmin: converged after 4 iterations.
iteration 301: trace = 2.451964338537992 (4.1452e-05% change)
linmin: converged after 4 iterations.
iteration 302: trace = 2.451963626062085 (2.90574e-05% change)
linmin: converged after 3 iterations.
iteration 303: trace = 2.45196286090635 (3.12058e-05% change)
large trace change predicted (7.04866e-05%)
linmin: converged after 3 iterations.
iteration 304: trace = 2.451961132076766 (7.0508e-05% change)
linmin: converged after 4 iterations.
iteration 305: trace = 2.451960060694344 (4.36949e-05% change)
linmin: converged after 5 iterations.
iteration 306: trace = 2.45195929368572 (3.12815e-05% change)
large trace change predicted (0.000111025%)
linmin: converged after 3 iterations.
iteration 307: trace = 2.451956570051481 (0.00011108% change)
linmin: converged after 3 iterations.
iteration 308: trace = 2.451953818305342 (0.000112227% change)
linmin: converged after 3 iterations.
iteration 309: trace = 2.451951653626621 (8.82839e-05% change)
large trace change predicted (0.000184665%)
linmin: converged after 4 iterations.
iteration 310: trace = 2.451947121582508 (0.000184834% change)
linmin: converged after 3 iterations.
iteration 311: trace = 2.451945166011394 (7.97559e-05% change)
linmin: converged after 3 iterations.
iteration 312: trace = 2.451942435218912 (0.000111373% change)
linmin: converged after 3 iterations.
iteration 313: trace = 2.451939405208457 (0.000123576% change)
linmin: converged after 3 iterations.
iteration 314: trace = 2.451938634410761 (3.14363e-05% change)
large trace change predicted (7.13993e-05%)
linmin: converged after 3 iterations.
iteration 315: trace = 2.451936883520887 (7.14084e-05% change)
linmin: converged after 3 iterations.
iteration 316: trace = 2.451935333125655 (6.32315e-05% change)
linmin: converged after 3 iterations.
iteration 317: trace = 2.451934772183667 (2.28775e-05% change)
large trace change predicted (5.68182e-05%)
linmin: converged after 4 iterations.
iteration 318: trace = 2.45193337891416 (5.68233e-05% change)
linmin: converged after 4 iterations.
iteration 319: trace = 2.451932197398721 (4.81871e-05% change)
linmin: converged after 3 iterations.
iteration 320: trace = 2.451931697025995 (2.04073e-05% change)
linmin: converged after 4 iterations.
iteration 321: trace = 2.451931013561718 (2.78745e-05% change)
linmin: converged after 3 iterations.
iteration 322: trace = 2.451930073490786 (3.834e-05% change)
linmin: converged after 4 iterations.
iteration 323: trace = 2.4519298008317 (1.11202e-05% change)
large trace change predicted (4.21488e-05%)
linmin: converged after 3 iterations.
iteration 324: trace = 2.451928767419563 (4.21469e-05% change)
linmin: converged after 4 iterations.
iteration 325: trace = 2.451927902052323 (3.52933e-05% change)
linmin: converged after 3 iterations.
iteration 326: trace = 2.451927460932055 (1.79908e-05% change)
large trace change predicted (5.36764e-05%)
linmin: converged after 4 iterations.
iteration 327: trace = 2.451926145023389 (5.36684e-05% change)
linmin: converged after 4 iterations.
iteration 328: trace = 2.451924454118065 (6.89624e-05% change)
linmin: converged after 4 iterations.
iteration 329: trace = 2.45192343736788 (4.14674e-05% change)
large trace change predicted (8.71433e-05%)
linmin: converged after 3 iterations.
iteration 330: trace = 2.45192130196901 (8.70908e-05% change)
linmin: converged after 5 iterations.
iteration 331: trace = 2.451918670153966 (0.000107337% change)
linmin: converged after 4 iterations.
iteration 332: trace = 2.45191779130337 (3.58434e-05% change)
large trace change predicted (9.23841e-05%)
linmin: converged after 3 iterations.
iteration 333: trace = 2.451915526678028 (9.23614e-05% change)
linmin: converged after 3 iterations.
iteration 334: trace = 2.451914426183707 (4.48831e-05% change)
linmin: converged after 3 iterations.
iteration 335: trace = 2.451913409272041 (4.14742e-05% change)
linmin: converged after 3 iterations.
iteration 336: trace = 2.451912256784357 (4.70036e-05% change)
linmin: converged after 4 iterations.
iteration 337: trace = 2.451911186131378 (4.3666e-05% change)
linmin: converged after 2 iterations.
iteration 338: trace = 2.451910850466922 (1.36899e-05% change)
large trace change predicted (3.93869e-05%)
linmin: converged after 4 iterations.
iteration 339: trace = 2.451909884741904 (3.93866e-05% change)
linmin: converged after 3 iterations.
iteration 340: trace = 2.45190963707967 (1.01008e-05% change)
linmin: converged after 3 iterations.
iteration 341: trace = 2.451909148391919 (1.99309e-05% change)
linmin: converged after 3 iterations.
iteration 342: trace = 2.45190827063069 (3.57991e-05% change)
linmin: converged after 7 iterations.
iteration 343: trace = 2.451908059504865 (8.61067e-06% change)
large trace change predicted (2.6893e-05%)
linmin: converged after 3 iterations.
iteration 344: trace = 2.451907399998265 (2.68977e-05% change)
linmin: converged after 3 iterations.
iteration 345: trace = 2.451906785418745 (2.50654e-05% change)
linmin: converged after 2 iterations.
iteration 346: trace = 2.451906437789964 (1.41779e-05% change)
large trace change predicted (5.58343e-05%)
linmin: converged after 3 iterations.
iteration 347: trace = 2.451905068455477 (5.58478e-05% change)
linmin: converged after 3 iterations.
iteration 348: trace = 2.451903121715061 (7.93971e-05% change)
linmin: converged after 3 iterations.
iteration 349: trace = 2.451902337095938 (3.20004e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 350: trace = 2.451901626083527 (2.89984e-05% change)
large trace change predicted (6.42866e-05%)
linmin: converged after 3 iterations.
iteration 351: trace = 2.451900049769866 (6.42895e-05% change)
linmin: converged after 2 iterations.
iteration 352: trace = 2.451899136573584 (3.72444e-05% change)
linmin: converged after 3 iterations.
iteration 353: trace = 2.451898736850383 (1.63026e-05% change)
linmin: converged after 2 iterations.
iteration 354: trace = 2.451897946694063 (3.22263e-05% change)
linmin: converged after 3 iterations.
iteration 355: trace = 2.45189747184642 (1.93665e-05% change)
linmin: converged after 3 iterations.
iteration 356: trace = 2.451897220646099 (1.02451e-05% change)
large trace change predicted (2.44861e-05%)
linmin: converged after 3 iterations.
iteration 357: trace = 2.451896620201119 (2.4489e-05% change)
linmin: converged after 3 iterations.
iteration 358: trace = 2.451896058080836 (2.29259e-05% change)
linmin: converged after 3 iterations.
iteration 359: trace = 2.451895837264319 (9.00595e-06% change)
large trace change predicted (2.84087e-05%)
linmin: converged after 3 iterations.
iteration 360: trace = 2.451895140561287 (2.84149e-05% change)
linmin: converged after 4 iterations.
iteration 361: trace = 2.45189474102638 (1.62949e-05% change)
linmin: converged after 2 iterations.
iteration 362: trace = 2.451894419082622 (1.31304e-05% change)
large trace change predicted (3.94816e-05%)
linmin: converged after 5 iterations.
iteration 363: trace = 2.451893450703638 (3.94951e-05% change)
linmin: converged after 4 iterations.
iteration 364: trace = 2.451892570126811 (3.59142e-05% change)
linmin: converged after 4 iterations.
iteration 365: trace = 2.45189181747914 (3.06966e-05% change)
large trace change predicted (6.43709e-05%)
linmin: converged after 3 iterations.
iteration 366: trace = 2.451890238485002 (6.4399e-05% change)
linmin: converged after 3 iterations.
iteration 367: trace = 2.451889616372384 (2.53728e-05% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.45188877755701 (3.4211e-05% change)
large trace change predicted (8.5513e-05%)
linmin: converged after 4 iterations.
iteration 369: trace = 2.451886679515175 (8.55684e-05% change)
linmin: converged after 3 iterations.
iteration 370: trace = 2.451885786404943 (3.64254e-05% change)
linmin: converged after 3 iterations.
iteration 371: trace = 2.451884655995135 (4.61037e-05% change)
linmin: converged after 4 iterations.
iteration 372: trace = 2.451883546120951 (4.52662e-05% change)
linmin: converged after 2 iterations.
iteration 373: trace = 2.451883232411078 (1.27946e-05% change)
large trace change predicted (3.61962e-05%)
linmin: converged after 4 iterations.
iteration 374: trace = 2.451882344780096 (3.6202e-05% change)
linmin: converged after 2 iterations.
iteration 375: trace = 2.451881779695219 (2.3047e-05% change)
linmin: converged after 4 iterations.
iteration 376: trace = 2.451881401859591 (1.541e-05% change)
linmin: converged after 3 iterations.
iteration 377: trace = 2.451881173998864 (9.2933e-06% change)
large trace change predicted (3.17815e-05%)
linmin: converged after 5 iterations.
iteration 378: trace = 2.451880394664437 (3.17852e-05% change)
linmin: converged after 2 iterations.
iteration 379: trace = 2.45187989190943 (2.05049e-05% change)
linmin: converged after 3 iterations.
iteration 380: trace = 2.451879518512381 (1.5229e-05% change)
linmin: converged after 3 iterations.
iteration 381: trace = 2.45187880705943 (2.90166e-05% change)
linmin: converged after 3 iterations.
iteration 382: trace = 2.451878318476758 (1.99269e-05% change)
linmin: converged after 3 iterations.
iteration 383: trace = 2.451877773854073 (2.22125e-05% change)
linmin: converged after 4 iterations.
iteration 384: trace = 2.451876824144952 (3.8734e-05% change)
linmin: converged after 3 iterations.
iteration 385: trace = 2.451876293493401 (2.16427e-05% change)
linmin: converged after 8 iterations.
iteration 386: trace = 2.451875369938492 (3.76673e-05% change)
large trace change predicted (7.75821e-05%)
linmin: converged after 5 iterations.
iteration 387: trace = 2.451873468799276 (7.75382e-05% change)
linmin: converged after 3 iterations.
iteration 388: trace = 2.451872590224089 (3.58328e-05% change)
large trace change predicted (9.50571e-05%)
linmin: converged after 4 iterations.
iteration 389: trace = 2.4518702615096 (9.4977e-05% change)
linmin: converged after 5 iterations.
iteration 390: trace = 2.451868461088069 (7.34306e-05% change)
linmin: converged after 5 iterations.
iteration 391: trace = 2.451867700627981 (3.10155e-05% change)
linmin: converged after 3 iterations.
iteration 392: trace = 2.451866708220177 (4.04756e-05% change)
linmin: converged after 3 iterations.
iteration 393: trace = 2.451865652586429 (4.30543e-05% change)
linmin: converged after 2 iterations.
iteration 394: trace = 2.451865445386099 (8.45072e-06% change)
large trace change predicted (2.50549e-05%)
linmin: converged after 3 iterations.
iteration 395: trace = 2.451864831127395 (2.50527e-05% change)
linmin: converged after 4 iterations.
iteration 396: trace = 2.451864349760831 (1.96327e-05% change)
linmin: converged after 26 iterations.
iteration 397: trace = 2.451864235719919 (4.65119e-06% change)
large trace change predicted (2.47964e-05%)
linmin: converged after 4 iterations.
iteration 398: trace = 2.451863627785021 (2.47948e-05% change)
linmin: converged after 3 iterations.
iteration 399: trace = 2.451863327607461 (1.22428e-05% change)
linmin: converged after 3 iterations.
iteration 400: trace = 2.451862913876871 (1.68741e-05% change)
linmin: converged after 4 iterations.
iteration 401: trace = 2.451862423737383 (1.99905e-05% change)
linmin: converged after 4 iterations.
iteration 402: trace = 2.451862008156571 (1.69496e-05% change)
linmin: converged after 3 iterations.
iteration 403: trace = 2.451861297761305 (2.89737e-05% change)
large trace change predicted (6.03586e-05%)
linmin: converged after 3 iterations.
iteration 404: trace = 2.451859816778514 (6.04024e-05% change)
linmin: converged after 5 iterations.
iteration 405: trace = 2.451858559069839 (5.12961e-05% change)
linmin: converged after 3 iterations.
iteration 406: trace = 2.451857891199748 (2.72393e-05% change)
large trace change predicted (6.38229e-05%)
linmin: converged after 3 iterations.
iteration 407: trace = 2.45185632544231 (6.38601e-05% change)
linmin: converged after 4 iterations.
iteration 408: trace = 2.451854711796361 (6.58133e-05% change)
linmin: converged after 3 iterations.
iteration 409: trace = 2.45185402817143 (2.7882e-05% change)
large trace change predicted (6.46259e-05%)
linmin: converged after 3 iterations.
iteration 410: trace = 2.451852442859669 (6.46577e-05% change)
linmin: converged after 4 iterations.
iteration 411: trace = 2.451851775392176 (2.7223e-05% change)
linmin: converged after 4 iterations.
iteration 412: trace = 2.451851127465782 (2.6426e-05% change)
linmin: converged after 3 iterations.
iteration 413: trace = 2.451850087175804 (4.24288e-05% change)
linmin: converged after 9 iterations.
iteration 414: trace = 2.451849911033916 (7.18404e-06% change)
large trace change predicted (2.51613e-05%)
linmin: converged after 4 iterations.
iteration 415: trace = 2.451849293949703 (2.51681e-05% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.451848943707893 (1.42848e-05% change)
linmin: converged after 2 iterations.
iteration 417: trace = 2.451848710098085 (9.5279e-06% change)
large trace change predicted (2.10239e-05%)
linmin: converged after 3 iterations.
iteration 418: trace = 2.45184819456945 (2.10261e-05% change)
large trace change predicted (0.000188518%)
linmin: converged after 3 iterations.
iteration 419: trace = 2.451843571620683 (0.00018855% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 420: trace = 2.451841487273947 (8.50114e-05% change)
linmin: converged after 4 iterations.
iteration 421: trace = 2.451839976121697 (6.16334e-05% change)
linmin: converged after 3 iterations.
iteration 422: trace = 2.451839314114376 (2.70004e-05% change)
linmin: converged after 4 iterations.
iteration 423: trace = 2.451839054914111 (1.05717e-05% change)
linmin: converged after 3 iterations.
iteration 424: trace = 2.451838742425517 (1.27451e-05% change)
linmin: converged after 7 iterations.
iteration 425: trace = 2.451838400153158 (1.39598e-05% change)
linmin: converged after 3 iterations.
iteration 426: trace = 2.451838201057432 (8.12026e-06% change)
large trace change predicted (2.04897e-05%)
linmin: converged after 3 iterations.
iteration 427: trace = 2.451837698796881 (2.04851e-05% change)
linmin: converged after 3 iterations.
iteration 428: trace = 2.451837481919144 (8.84552e-06% change)
large trace change predicted (3.05073e-05%)
linmin: converged after 4 iterations.
iteration 429: trace = 2.451836734163764 (3.04978e-05% change)
linmin: converged after 4 iterations.
iteration 430: trace = 2.451835936235739 (3.25441e-05% change)
linmin: converged after 3 iterations.
iteration 431: trace = 2.451835185942234 (3.06013e-05% change)
linmin: converged after 4 iterations.
iteration 432: trace = 2.451834525078679 (2.69538e-05% change)
large trace change predicted (5.9575e-05%)
linmin: converged after 3 iterations.
iteration 433: trace = 2.451833065357541 (5.95359e-05% change)
linmin: converged after 8 iterations.
iteration 434: trace = 2.451832734050241 (1.35126e-05% change)
linmin: converged after 3 iterations.
iteration 435: trace = 2.451832149791729 (2.38295e-05% change)
linmin: converged after 4 iterations.
iteration 436: trace = 2.451831313054189 (3.4127e-05% change)
linmin: converged after 3 iterations.
iteration 437: trace = 2.451831144753733 (6.86428e-06% change)
large trace change predicted (1.89495e-05%)
linmin: converged after 4 iterations.
iteration 438: trace = 2.451830680221672 (1.89463e-05% change)
linmin: converged after 3 iterations.
iteration 439: trace = 2.451830279374053 (1.63489e-05% change)
linmin: converged after 4 iterations.
iteration 440: trace = 2.451829954213735 (1.32619e-05% change)
linmin: converged after 4 iterations.
iteration 441: trace = 2.451829747917543 (8.41397e-06% change)
linmin: converged after 8 iterations.
iteration 442: trace = 2.45182942913199 (1.30019e-05% change)
linmin: converged after 2 iterations.
iteration 443: trace = 2.451829344579854 (3.44853e-06% change)
large trace change predicted (1.20307e-05%)
linmin: converged after 6 iterations.
iteration 444: trace = 2.451829049585355 (1.20316e-05% change)
linmin: converged after 4 iterations.
iteration 445: trace = 2.45182882275353 (9.25154e-06% change)
linmin: converged after 2 iterations.
iteration 446: trace = 2.451828710478946 (4.57922e-06% change)
large trace change predicted (1.8046e-05%)
linmin: converged after 4 iterations.
iteration 447: trace = 2.451828267951997 (1.80489e-05% change)
linmin: converged after 4 iterations.
iteration 448: trace = 2.451827859086309 (1.6676e-05% change)
linmin: converged after 2 iterations.
iteration 449: trace = 2.451827704537776 (6.3034e-06% change)
large trace change predicted (2.59966e-05%)
linmin: converged after 4 iterations.
iteration 450: trace = 2.451827067038046 (2.6001e-05% change)
linmin: converged after 4 iterations.
iteration 451: trace = 2.451826123510454 (3.84826e-05% change)
linmin: converged after 3 iterations.
iteration 452: trace = 2.451825857654383 (1.08432e-05% change)
large trace change predicted (4.34736e-05%)
linmin: converged after 4 iterations.
iteration 453: trace = 2.45182479109769 (4.35005e-05% change)
linmin: converged after 4 iterations.
iteration 454: trace = 2.45182429282768 (2.03224e-05% change)
linmin: converged after 3 iterations.
iteration 455: trace = 2.451824028134613 (1.07958e-05% change)
linmin: converged after 4 iterations.
iteration 456: trace = 2.451823712849073 (1.28592e-05% change)
linmin: converged after 4 iterations.
iteration 457: trace = 2.451823254502712 (1.86941e-05% change)
linmin: converged after 3 iterations.
iteration 458: trace = 2.451823062649151 (7.82493e-06% change)
large trace change predicted (1.64623e-05%)
linmin: converged after 3 iterations.
iteration 459: trace = 2.451822658887967 (1.64678e-05% change)
linmin: converged after 2 iterations.
iteration 460: trace = 2.451822526439577 (5.40204e-06% change)
linmin: converged after 4 iterations.
iteration 461: trace = 2.451822336459144 (7.74854e-06% change)
linmin: converged after 4 iterations.
iteration 462: trace = 2.451822084284924 (1.02852e-05% change)
linmin: converged after 3 iterations.
iteration 463: trace = 2.451822011646269 (2.96264e-06% change)
linmin: converged after 3 iterations.
iteration 464: trace = 2.451821904237058 (4.38079e-06% change)
linmin: converged after 2 iterations.
iteration 465: trace = 2.451821699544684 (8.34858e-06% change)
linmin: converged after 3 iterations.
iteration 466: trace = 2.451821547178686 (6.2144e-06% change)
linmin: converged after 6 iterations.
iteration 467: trace = 2.451821376475728 (6.96229e-06% change)
linmin: converged after 3 iterations.
iteration 468: trace = 2.451821040671764 (1.36961e-05% change)
linmin: converged after 3 iterations.
iteration 469: trace = 2.45182080693343 (9.53325e-06% change)
linmin: converged after 4 iterations.
iteration 470: trace = 2.4518205215002 (1.16417e-05% change)
large trace change predicted (2.63546e-05%)
linmin: converged after 3 iterations.
iteration 471: trace = 2.45181987548071 (2.63486e-05% change)
linmin: converged after 3 iterations.
iteration 472: trace = 2.451819408860605 (1.90316e-05% change)
linmin: converged after 4 iterations.
iteration 473: trace = 2.451819126855167 (1.15019e-05% change)
linmin: converged after 3 iterations.
iteration 474: trace = 2.451818658754745 (1.9092e-05% change)
linmin: converged after 5 iterations.
iteration 475: trace = 2.451818394563479 (1.07753e-05% change)
linmin: converged after 18 iterations.
iteration 476: trace = 2.451818116179429 (1.13542e-05% change)
linmin: converged after 3 iterations.
iteration 477: trace = 2.451817781654802 (1.36439e-05% change)
linmin: converged after 2 iterations.
iteration 478: trace = 2.451817681110296 (4.10081e-06% change)
linmin: converged after 2 iterations.
iteration 479: trace = 2.451817552578524 (5.24231e-06% change)
linmin: converged after 19 iterations.
iteration 480: trace = 2.451817332535152 (8.9747e-06% change)
linmin: converged after 3 iterations.
iteration 481: trace = 2.451817297043988 (1.44755e-06% change)
large trace change predicted (8.02481e-06%)
linmin: converged after 2 iterations.
iteration 482: trace = 2.451817100288909 (8.02487e-06% change)
linmin: converged after 7 iterations.
iteration 483: trace = 2.451816974162871 (5.14419e-06% change)
linmin: converged after 4 iterations.
iteration 484: trace = 2.451816925474987 (1.98579e-06% change)
large trace change predicted (5.20292e-06%)
linmin: converged after 2 iterations.
iteration 485: trace = 2.45181679790735 (5.20298e-06% change)
linmin: converged after 2 iterations.
iteration 486: trace = 2.451816582759446 (8.77504e-06% change)
linmin: converged after 3 iterations.
iteration 487: trace = 2.451816497251044 (3.48755e-06% change)
large trace change predicted (9.35672e-06%)
linmin: converged after 18 iterations.
iteration 488: trace = 2.451816267845393 (9.35656e-06% change)
linmin: converged after 3 iterations.
iteration 489: trace = 2.451815875725539 (1.5993e-05% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 490: trace = 2.451815757819901 (4.80891e-06% change)
large trace change predicted (1.10512e-05%)
linmin: converged after 2 iterations.
iteration 491: trace = 2.451815486861406 (1.10513e-05% change)
linmin: converged after 3 iterations.
iteration 492: trace = 2.451815280756068 (8.40623e-06% change)
linmin: converged after 3 iterations.
iteration 493: trace = 2.451815194923169 (3.50079e-06% change)
large trace change predicted (7.35121e-06%)
linmin: converged after 7 iterations.
iteration 494: trace = 2.451815014697793 (7.35069e-06% change)
linmin: converged after 2 iterations.
iteration 495: trace = 2.451814894361656 (4.90804e-06% change)
linmin: converged after 3 iterations.
iteration 496: trace = 2.451814850871355 (1.7738e-06% change)
large trace change predicted (4.50328e-06%)
linmin: converged after 2 iterations.
iteration 497: trace = 2.45181474045643 (4.5034e-06% change)
linmin: converged after 2 iterations.
iteration 498: trace = 2.451814610526366 (5.29934e-06% change)
linmin: converged after 3 iterations.
iteration 499: trace = 2.451814567841736 (1.74094e-06% change)
large trace change predicted (6.83787e-06%)
linmin: converged after 3 iterations.
iteration 500: trace = 2.451814400186214 (6.83802e-06% change)
linmin: converged after 3 iterations.
iteration 501: trace = 2.451814272915252 (5.19089e-06% change)
linmin: converged after 2 iterations.
iteration 502: trace = 2.45181419266202 (3.27322e-06% change)
large trace change predicted (8.56711e-06%)
linmin: converged after 24 iterations.
iteration 503: trace = 2.45181398260356 (8.56747e-06% change)
linmin: converged after 4 iterations.
iteration 504: trace = 2.451813704811319 (1.13301e-05% change)
linmin: converged after 4 iterations.
iteration 505: trace = 2.451813596654659 (4.41129e-06% change)
large trace change predicted (1.8288e-05%)
linmin: converged after 3 iterations.
iteration 506: trace = 2.451813148189388 (1.82912e-05% change)
linmin: converged after 22 iterations.
iteration 507: trace = 2.451812965690427 (7.44343e-06% change)
linmin: converged after 2 iterations.
iteration 508: trace = 2.451812761950807 (8.30975e-06% change)
large trace change predicted (2.09791e-05%)
linmin: converged after 3 iterations.
iteration 509: trace = 2.451812247462067 (2.0984e-05% change)
linmin: converged after 3 iterations.
iteration 510: trace = 2.451811966755929 (1.14489e-05% change)
linmin: converged after 3 iterations.
iteration 511: trace = 2.451811851242338 (4.71136e-06% change)
large trace change predicted (1.00995e-05%)
linmin: converged after 3 iterations.
iteration 512: trace = 2.451811603602493 (1.01003e-05% change)
linmin: converged after 5 iterations.
iteration 513: trace = 2.451811507357846 (3.92545e-06% change)
linmin: converged after 20 iterations.
iteration 514: trace = 2.451811334433819 (7.05291e-06% change)
linmin: converged after 4 iterations.
iteration 515: trace = 2.451811191640094 (5.82401e-06% change)
linmin: converged after 3 iterations.
iteration 516: trace = 2.451811130732174 (2.4842e-06% change)
linmin: converged after 2 iterations.
iteration 517: trace = 2.451811047301646 (3.40281e-06% change)
linmin: converged after 2 iterations.
iteration 518: trace = 2.451810891815008 (6.34171e-06% change)
linmin: converged after 2 iterations.
iteration 519: trace = 2.451810816631979 (3.06643e-06% change)
linmin: converged after 3 iterations.
iteration 520: trace = 2.451810695082755 (4.95753e-06% change)
linmin: converged after 3 iterations.
iteration 521: trace = 2.45181049319669 (8.23416e-06% change)
linmin: converged after 3 iterations.
iteration 522: trace = 2.451810268505231 (9.16431e-06% change)
linmin: converged after 2 iterations.
iteration 523: trace = 2.45181019367532 (3.05203e-06% change)
large trace change predicted (8.52331e-06%)
linmin: converged after 3 iterations.
iteration 524: trace = 2.451809984726808 (8.52221e-06% change)
linmin: converged after 3 iterations.
iteration 525: trace = 2.451809780364004 (8.33518e-06% change)
linmin: converged after 5 iterations.
iteration 526: trace = 2.451809671650246 (4.43402e-06% change)
large trace change predicted (2.12798e-05%)
linmin: converged after 3 iterations.
iteration 527: trace = 2.451809150137006 (2.12705e-05% change)
linmin: converged after 5 iterations.
iteration 528: trace = 2.45180874197214 (1.66475e-05% change)
linmin: converged after 3 iterations.
iteration 529: trace = 2.451808417499351 (1.3234e-05% change)
linmin: converged after 3 iterations.
iteration 530: trace = 2.451808030250102 (1.57944e-05% change)
linmin: converged after 3 iterations.
iteration 531: trace = 2.451807807831868 (9.0716e-06% change)
linmin: converged after 3 iterations.
iteration 532: trace = 2.451807742759107 (2.65407e-06% change)
large trace change predicted (9.27794e-06%)
linmin: converged after 3 iterations.
iteration 533: trace = 2.451807515300582 (9.27718e-06% change)
linmin: converged after 6 iterations.
iteration 534: trace = 2.451807415467064 (4.07183e-06% change)
linmin: converged after 5 iterations.
iteration 535: trace = 2.451807346960127 (2.79414e-06% change)
large trace change predicted (5.71938e-06%)
linmin: converged after 4 iterations.
iteration 536: trace = 2.451807206736129 (5.71921e-06% change)
linmin: converged after 12 iterations.
iteration 537: trace = 2.451807086805041 (4.89154e-06% change)
linmin: converged after 8 iterations.
iteration 538: trace = 2.451807031148672 (2.27001e-06% change)
large trace change predicted (7.12219e-06%)
linmin: converged after 3 iterations.
iteration 539: trace = 2.451806856509571 (7.12287e-06% change)
linmin: converged after 3 iterations.
iteration 540: trace = 2.451806796843032 (2.43357e-06% change)
large trace change predicted (6.7709e-06%)
linmin: converged after 4 iterations.
iteration 541: trace = 2.451806630809242 (6.7719e-06% change)
linmin: converged after 5 iterations.
iteration 542: trace = 2.451806452505993 (7.27232e-06% change)
linmin: converged after 16 iterations.
iteration 543: trace = 2.451806368758432 (3.41575e-06% change)
large trace change predicted (1.23699e-05%)
linmin: converged after 3 iterations.
iteration 544: trace = 2.451806065324214 (1.23759e-05% change)
linmin: converged after 3 iterations.
iteration 545: trace = 2.451805739861479 (1.32744e-05% change)
linmin: converged after 5 iterations.
iteration 546: trace = 2.451805601881059 (5.62771e-06% change)
large trace change predicted (1.68905e-05%)
linmin: converged after 3 iterations.
iteration 547: trace = 2.451805187663824 (1.68944e-05% change)
linmin: converged after 3 iterations.
iteration 548: trace = 2.451804745230315 (1.80452e-05% change)
linmin: converged after 3 iterations.
iteration 549: trace = 2.451804599592704 (5.94002e-06% change)
linmin: converged after 3 iterations.
iteration 550: trace = 2.451804373046908 (9.23996e-06% change)
linmin: converged after 3 iterations.
iteration 551: trace = 2.451804158093567 (8.76715e-06% change)
linmin: converged after 2 iterations.
iteration 552: trace = 2.451804068334619 (3.66093e-06% change)
linmin: converged after 3 iterations.
iteration 553: trace = 2.451803927634026 (5.73866e-06% change)
linmin: converged after 3 iterations.
iteration 554: trace = 2.451803805504083 (4.98123e-06% change)
linmin: converged after 3 iterations.
iteration 555: trace = 2.451803760167925 (1.84909e-06% change)
large trace change predicted (3.96563e-06%)
linmin: converged after 4 iterations.
iteration 556: trace = 2.451803662939658 (3.96558e-06% change)
linmin: converged after 3 iterations.
iteration 557: trace = 2.451803472511807 (7.76685e-06% change)
linmin: converged after 3 iterations.
iteration 558: trace = 2.451803406365509 (2.69786e-06% change)
large trace change predicted (3.46964e-05%)
linmin: converged after 3 iterations.
iteration 559: trace = 2.451802555696506 (3.46957e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 560: trace = 2.451801982548152 (2.33766e-05% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.451801906952554 (3.08327e-06% change)
large trace change predicted (8.84622e-06%)
linmin: converged after 8 iterations.
iteration 562: trace = 2.451801690096094 (8.84478e-06% change)
linmin: converged after 3 iterations.
iteration 563: trace = 2.451801613985753 (3.10426e-06% change)
linmin: converged after 3 iterations.
iteration 564: trace = 2.451801571639047 (1.72717e-06% change)
large trace change predicted (5.19395e-06%)
linmin: converged after 3 iterations.
iteration 565: trace = 2.451801444315304 (5.19307e-06% change)
linmin: converged after 23 iterations.
iteration 566: trace = 2.451801359505677 (3.45907e-06% change)
linmin: converged after 2 iterations.
iteration 567: trace = 2.451801310782897 (1.98722e-06% change)
large trace change predicted (8.99797e-06%)
linmin: converged after 3 iterations.
iteration 568: trace = 2.451801090196141 (8.99693e-06% change)
linmin: converged after 3 iterations.
iteration 569: trace = 2.451801002373334 (3.58197e-06% change)
linmin: converged after 3 iterations.
iteration 570: trace = 2.451800895528208 (4.35782e-06% change)
large trace change predicted (9.24043e-06%)
linmin: converged after 3 iterations.
iteration 571: trace = 2.451800669005973 (9.23901e-06% change)
linmin: converged after 3 iterations.
iteration 572: trace = 2.451800475143845 (7.90693e-06% change)
linmin: converged after 2 iterations.
iteration 573: trace = 2.451800397611408 (3.16227e-06% change)
linmin: converged after 3 iterations.
iteration 574: trace = 2.451800250724628 (5.99098e-06% change)
linmin: converged after 3 iterations.
iteration 575: trace = 2.451800097856249 (6.23494e-06% change)
linmin: converged after 4 iterations.
iteration 576: trace = 2.451799981080339 (4.76286e-06% change)
linmin: converged after 4 iterations.
iteration 577: trace = 2.451799778162104 (8.2763e-06% change)
linmin: converged after 3 iterations.
iteration 578: trace = 2.451799650819622 (5.19384e-06% change)
linmin: converged after 2 iterations.
iteration 579: trace = 2.45179958082181 (2.85496e-06% change)
large trace change predicted (7.39521e-06%)
linmin: converged after 16 iterations.
iteration 580: trace = 2.451799399541025 (7.39379e-06% change)
linmin: converged after 2 iterations.
iteration 581: trace = 2.451799337883764 (2.51478e-06% change)
linmin: converged after 4 iterations.
iteration 582: trace = 2.45179926618354 (2.92439e-06% change)
linmin: converged after 7 iterations.
iteration 583: trace = 2.451799194783086 (2.91217e-06% change)
linmin: converged after 12 iterations.
iteration 584: trace = 2.451799169243016 (1.04169e-06% change)
linmin: converged after 8 iterations.
iteration 585: trace = 2.451799126081373 (1.76041e-06% change)
linmin: converged after 2 iterations.
iteration 586: trace = 2.451799056584404 (2.83453e-06% change)
linmin: converged after 5 iterations.
iteration 587: trace = 2.451799037591654 (7.74645e-07% change)
large trace change predicted (2.58954e-06%)
linmin: converged after 3 iterations.
iteration 588: trace = 2.451798974098954 (2.58964e-06% change)
linmin: converged after 5 iterations.
iteration 589: trace = 2.451798865056575 (4.44744e-06% change)
linmin: converged after 3 iterations.
iteration 590: trace = 2.451798815752565 (2.01093e-06% change)
large trace change predicted (6.75032e-06%)
linmin: converged after 3 iterations.
iteration 591: trace = 2.45179865020752 (6.75198e-06% change)
linmin: converged after 3 iterations.
iteration 592: trace = 2.451798392978084 (1.04915e-05% change)
linmin: converged after 2 iterations.
iteration 593: trace = 2.451798341014076 (2.11942e-06% change)
large trace change predicted (5.91559e-06%)
linmin: converged after 3 iterations.
iteration 594: trace = 2.451798195958455 (5.9163e-06% change)
linmin: converged after 4 iterations.
iteration 595: trace = 2.451798053437744 (5.81291e-06% change)
linmin: converged after 3 iterations.
iteration 596: trace = 2.451797948203541 (4.29212e-06% change)
linmin: converged after 4 iterations.
iteration 597: trace = 2.451797812823868 (5.52165e-06% change)
linmin: converged after 3 iterations.
iteration 598: trace = 2.451797667765789 (5.9164e-06% change)
linmin: converged after 3 iterations.
iteration 599: trace = 2.451797613208867 (2.22518e-06% change)
linmin: converged after 4 iterations.
iteration 600: trace = 2.451797573279094 (1.62859e-06% change)
linmin: converged after 3 iterations.
iteration 601: trace = 2.451797511405647 (2.5236e-06% change)
linmin: converged after 16 iterations.
iteration 602: trace = 2.451797495827575 (6.35374e-07% change)
linmin: converged after 22 iterations.
iteration 603: trace = 2.451797468701521 (1.10637e-06% change)
linmin: converged after 2 iterations.
iteration 604: trace = 2.451797425297661 (1.77029e-06% change)
linmin: converged after 16 iterations.
iteration 605: trace = 2.451797413176967 (4.9436e-07% change)
large trace change predicted (2.21362e-06%)
linmin: converged after 22 iterations.
iteration 606: trace = 2.451797358904964 (2.21356e-06% change)
linmin: converged after 11 iterations.
iteration 607: trace = 2.451797293903835 (2.65116e-06% change)
linmin: converged after 2 iterations.
iteration 608: trace = 2.451797254649803 (1.60103e-06% change)
large trace change predicted (3.593e-06%)
linmin: converged after 3 iterations.
iteration 609: trace = 2.451797166562065 (3.59278e-06% change)
linmin: converged after 3 iterations.
iteration 610: trace = 2.451797005492685 (6.56944e-06% change)
linmin: converged after 6 iterations.
iteration 611: trace = 2.451796920112159 (3.48237e-06% change)
linmin: converged after 6 iterations.
iteration 612: trace = 2.45179679732706 (5.00796e-06% change)
linmin: converged after 6 iterations.
iteration 613: trace = 2.451796693564692 (4.2321e-06% change)
linmin: converged after 3 iterations.
iteration 614: trace = 2.451796649410477 (1.80089e-06% change)
large trace change predicted (4.06062e-06%)
linmin: converged after 3 iterations.
iteration 615: trace = 2.451796549857634 (4.0604e-06% change)
linmin: converged after 3 iterations.
iteration 616: trace = 2.451796494649746 (2.25173e-06% change)
linmin: converged after 3 iterations.
iteration 617: trace = 2.451796462267598 (1.32075e-06% change)
linmin: converged after 2 iterations.
iteration 618: trace = 2.451796416806242 (1.85421e-06% change)
linmin: converged after 3 iterations.
iteration 619: trace = 2.451796356724762 (2.45051e-06% change)
linmin: converged after 4 iterations.
iteration 620: trace = 2.451796344704529 (4.90262e-07% change)
large trace change predicted (2.2744e-06%)
linmin: converged after 26 iterations.
iteration 621: trace = 2.451796288941718 (2.27437e-06% change)
linmin: converged after 2 iterations.
iteration 622: trace = 2.451796270977686 (7.32689e-07% change)
linmin: converged after 2 iterations.
iteration 623: trace = 2.451796249624427 (8.70923e-07% change)
linmin: converged after 2 iterations.
iteration 624: trace = 2.451796214952842 (1.41413e-06% change)
linmin: converged after 2 iterations.
iteration 625: trace = 2.451796170173427 (1.82639e-06% change)
linmin: converged after 3 iterations.
iteration 626: trace = 2.451796151665538 (7.54871e-07% change)
large trace change predicted (1.78874e-06%)
linmin: converged after 3 iterations.
iteration 627: trace = 2.45179610780839 (1.78878e-06% change)
linmin: converged after 2 iterations.
iteration 628: trace = 2.451796047092974 (2.47636e-06% change)
linmin: converged after 26 iterations.
iteration 629: trace = 2.451796029479969 (7.18372e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 630: trace = 2.451796012741334 (6.82709e-07% change)
large trace change predicted (2.09654e-06%)
linmin: converged after 2 iterations.
iteration 631: trace = 2.451795961338387 (2.09654e-06% change)
linmin: converged after 9 iterations.
iteration 632: trace = 2.45179592602504 (1.44031e-06% change)
linmin: converged after 3 iterations.
iteration 633: trace = 2.451795905088337 (8.53933e-07% change)
linmin: converged after 2 iterations.
iteration 634: trace = 2.451795863367345 (1.70165e-06% change)
linmin: converged after 3 iterations.
iteration 635: trace = 2.451795842434369 (8.53781e-07% change)
linmin: converged after 4 iterations.
iteration 636: trace = 2.451795823253336 (7.82326e-07% change)
linmin: converged after 2 iterations.
iteration 637: trace = 2.451795792757435 (1.24382e-06% change)
linmin: converged after 7 iterations.
iteration 638: trace = 2.45179576555358 (1.10955e-06% change)
linmin: converged after 8 iterations.
iteration 639: trace = 2.451795739773108 (1.05149e-06% change)
linmin: converged after 3 iterations.
iteration 640: trace = 2.4517956901301 (2.02476e-06% change)
linmin: converged after 2 iterations.
iteration 641: trace = 2.451795664286969 (1.05405e-06% change)
linmin: converged after 15 iterations.
iteration 642: trace = 2.45179563766033 (1.08601e-06% change)
linmin: converged after 2 iterations.
iteration 643: trace = 2.451795588485063 (2.00568e-06% change)
linmin: converged after 3 iterations.
iteration 644: trace = 2.451795539525068 (1.9969e-06% change)
linmin: converged after 19 iterations.
iteration 645: trace = 2.451795502640996 (1.50437e-06% change)
large trace change predicted (4.31029e-06%)
linmin: converged after 3 iterations.
iteration 646: trace = 2.451795396954941 (4.31056e-06% change)
linmin: converged after 4 iterations.
iteration 647: trace = 2.451795364800598 (1.31146e-06% change)
large trace change predicted (2.93782e-06%)
linmin: converged after 2 iterations.
iteration 648: trace = 2.451795292770135 (2.93787e-06% change)
large trace change predicted (6.32079e-06%)
linmin: converged after 3 iterations.
iteration 649: trace = 2.451795137780789 (6.32146e-06% change)
linmin: converged after 2 iterations.
iteration 650: trace = 2.451795085908627 (2.11568e-06% change)
linmin: converged after 11 iterations.
iteration 651: trace = 2.451795039112831 (1.90863e-06% change)
linmin: converged after 16 iterations.
iteration 652: trace = 2.451794981825601 (2.33654e-06% change)
linmin: converged after 3 iterations.
iteration 653: trace = 2.451794964154467 (7.20743e-07% change)
large trace change predicted (1.71611e-06%)
linmin: converged after 4 iterations.
iteration 654: trace = 2.451794922076946 (1.71619e-06% change)
linmin: converged after 5 iterations.
iteration 655: trace = 2.451794889434599 (1.33137e-06% change)
linmin: converged after 13 iterations.
iteration 656: trace = 2.451794879984825 (3.85423e-07% change)
large trace change predicted (9.94414e-07%)
linmin: converged after 3 iterations.
iteration 657: trace = 2.451794855604035 (9.94406e-07% change)
linmin: converged after 3 iterations.
iteration 658: trace = 2.451794823053012 (1.32764e-06% change)
linmin: converged after 16 iterations.
iteration 659: trace = 2.451794811662601 (4.64574e-07% change)
large trace change predicted (1.70714e-06%)
linmin: converged after 5 iterations.
iteration 660: trace = 2.451794769807879 (1.70711e-06% change)
linmin: converged after 3 iterations.
iteration 661: trace = 2.451794708290626 (2.50907e-06% change)
linmin: converged after 3 iterations.
iteration 662: trace = 2.451794634213091 (3.02136e-06% change)
linmin: converged after 19 iterations.
iteration 663: trace = 2.451794612022829 (9.05062e-07% change)
large trace change predicted (3.52775e-06%)
linmin: converged after 4 iterations.
iteration 664: trace = 2.451794525544635 (3.52714e-06% change)
linmin: converged after 4 iterations.
iteration 665: trace = 2.451794469815066 (2.27301e-06% change)
linmin: converged after 3 iterations.
iteration 666: trace = 2.451794420057125 (2.02945e-06% change)
large trace change predicted (5.20654e-06%)
linmin: converged after 5 iterations.
iteration 667: trace = 2.451794292444008 (5.20489e-06% change)
linmin: converged after 3 iterations.
iteration 668: trace = 2.451794165930693 (5.16003e-06% change)
linmin: converged after 4 iterations.
iteration 669: trace = 2.451794133465237 (1.32415e-06% change)
large trace change predicted (3.19858e-06%)
linmin: converged after 11 iterations.
iteration 670: trace = 2.451794055050618 (3.19825e-06% change)
linmin: converged after 5 iterations.
iteration 671: trace = 2.451794029890598 (1.02619e-06% change)
linmin: converged after 3 iterations.
iteration 672: trace = 2.45179401156865 (7.47287e-07% change)
large trace change predicted (1.51873e-06%)
linmin: converged after 6 iterations.
iteration 673: trace = 2.451793974332896 (1.51871e-06% change)
linmin: converged after 3 iterations.
iteration 674: trace = 2.451793962126843 (4.97842e-07% change)
linmin: converged after 3 iterations.
iteration 675: trace = 2.451793946727369 (6.2809e-07% change)
large trace change predicted (1.33892e-06%)
linmin: converged after 2 iterations.
iteration 676: trace = 2.451793913899442 (1.33893e-06% change)
linmin: converged after 3 iterations.
iteration 677: trace = 2.451793874281844 (1.61586e-06% change)
linmin: converged after 3 iterations.
iteration 678: trace = 2.451793859883507 (5.87257e-07% change)
large trace change predicted (2.37031e-06%)
linmin: converged after 3 iterations.
iteration 679: trace = 2.451793801762028 (2.37057e-06% change)
linmin: converged after 3 iterations.
iteration 680: trace = 2.45179375962895 (1.71846e-06% change)
linmin: converged after 2 iterations.
iteration 681: trace = 2.451793723775928 (1.46232e-06% change)
large trace change predicted (3.58492e-06%)
linmin: converged after 4 iterations.
iteration 682: trace = 2.451793635857668 (3.58588e-06% change)
linmin: converged after 3 iterations.
iteration 683: trace = 2.451793595839454 (1.6322e-06% change)
linmin: converged after 4 iterations.
iteration 684: trace = 2.451793522898229 (2.97501e-06% change)
linmin: converged after 4 iterations.
iteration 685: trace = 2.451793441862717 (3.30515e-06% change)
linmin: converged after 3 iterations.
iteration 686: trace = 2.451793417050211 (1.01201e-06% change)
large trace change predicted (2.28174e-06%)
linmin: converged after 2 iterations.
iteration 687: trace = 2.451793361103791 (2.28186e-06% change)
linmin: converged after 3 iterations.
iteration 688: trace = 2.45179327485653 (3.51772e-06% change)
linmin: converged after 3 iterations.
iteration 689: trace = 2.451793244726272 (1.22891e-06% change)
linmin: converged after 8 iterations.
iteration 690: trace = 2.45179320944602 (1.43896e-06% change)
linmin: converged after 3 iterations.
iteration 691: trace = 2.451793151290725 (2.37195e-06% change)
linmin: converged after 2 iterations.
iteration 692: trace = 2.451793130443018 (8.50304e-07% change)
linmin: converged after 15 iterations.
iteration 693: trace = 2.451793098215616 (1.31444e-06% change)
linmin: converged after 13 iterations.
iteration 694: trace = 2.451793054669052 (1.77611e-06% change)
linmin: converged after 19 iterations.
iteration 695: trace = 2.451793041170863 (5.50544e-07% change)
linmin: converged after 2 iterations.
iteration 696: trace = 2.451793017141788 (9.80061e-07% change)
large trace change predicted (2.72664e-06%)
linmin: converged after 3 iterations.
iteration 697: trace = 2.451792950287839 (2.72674e-06% change)
linmin: converged after 4 iterations.
iteration 698: trace = 2.45179291676277 (1.36737e-06% change)
large trace change predicted (4.11915e-06%)
linmin: converged after 2 iterations.
iteration 699: trace = 2.451792815767903 (4.11923e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 700: trace = 2.451792735973971 (3.25451e-06% change)
linmin: converged after 3 iterations.
iteration 701: trace = 2.451792713385848 (9.2129e-07% change)
large trace change predicted (2.24644e-06%)
linmin: converged after 27 iterations.
iteration 702: trace = 2.451792658309004 (2.24639e-06% change)
linmin: converged after 8 iterations.
iteration 703: trace = 2.451792637528764 (8.47553e-07% change)
linmin: converged after 4 iterations.
iteration 704: trace = 2.451792624061017 (5.49302e-07% change)
large trace change predicted (1.7001e-06%)
linmin: converged after 3 iterations.
iteration 705: trace = 2.451792582379331 (1.70005e-06% change)
linmin: converged after 16 iterations.
iteration 706: trace = 2.45179255538638 (1.10095e-06% change)
linmin: converged after 18 iterations.
iteration 707: trace = 2.451792537408584 (7.33251e-07% change)
large trace change predicted (2.25362e-06%)
linmin: converged after 6 iterations.
iteration 708: trace = 2.451792482156694 (2.25353e-06% change)
linmin: converged after 3 iterations.
iteration 709: trace = 2.451792465849439 (6.65116e-07% change)
large trace change predicted (1.33888e-06%)
linmin: converged after 3 iterations.
iteration 710: trace = 2.451792433024327 (1.33882e-06% change)
linmin: converged after 3 iterations.
iteration 711: trace = 2.451792391095912 (1.71011e-06% change)
linmin: converged after 3 iterations.
iteration 712: trace = 2.451792367973385 (9.43087e-07% change)
linmin: converged after 3 iterations.
iteration 713: trace = 2.451792340588103 (1.11695e-06% change)
linmin: converged after 4 iterations.
iteration 714: trace = 2.451792302327005 (1.56054e-06% change)
linmin: converged after 23 iterations.
iteration 715: trace = 2.451792278794445 (9.5981e-07% change)
large trace change predicted (2.39835e-06%)
linmin: converged after 4 iterations.
iteration 716: trace = 2.451792219997243 (2.39813e-06% change)
linmin: converged after 4 iterations.
iteration 717: trace = 2.45179215196424 (2.77483e-06% change)
linmin: converged after 2 iterations.
iteration 718: trace = 2.451792133137846 (7.67863e-07% change)
large trace change predicted (1.8277e-06%)
linmin: converged after 19 iterations.
iteration 719: trace = 2.451792088331478 (1.82749e-06% change)
linmin: converged after 4 iterations.
iteration 720: trace = 2.451792045582993 (1.74356e-06% change)
linmin: converged after 22 iterations.
iteration 721: trace = 2.451792036069681 (3.88015e-07% change)
large trace change predicted (1.12578e-06%)
linmin: converged after 16 iterations.
iteration 722: trace = 2.451792008467948 (1.12578e-06% change)
linmin: converged after 10 iterations.
iteration 723: trace = 2.45179198955999 (7.71189e-07% change)
linmin: converged after 7 iterations.
iteration 724: trace = 2.451791985092234 (1.82224e-07% change)
large trace change predicted (4.22936e-07%)
linmin: converged after 13 iterations.
iteration 725: trace = 2.451791974722604 (4.22941e-07% change)
linmin: converged after 8 iterations.
iteration 726: trace = 2.451791956378741 (7.48182e-07% change)
linmin: converged after 10 iterations.
iteration 727: trace = 2.451791950427283 (2.42739e-07% change)
large trace change predicted (6.32523e-07%)
linmin: converged after 3 iterations.
iteration 728: trace = 2.451791934918383 (6.32554e-07% change)
large trace change predicted (1.58896e-06%)
linmin: converged after 15 iterations.
iteration 729: trace = 2.451791895956499 (1.58912e-06% change)
linmin: converged after 10 iterations.
iteration 730: trace = 2.451791861578978 (1.40214e-06% change)
linmin: converged after 6 iterations.
iteration 731: trace = 2.451791832578483 (1.18283e-06% change)
large trace change predicted (2.51013e-06%)
linmin: converged after 4 iterations.
iteration 732: trace = 2.451791771020753 (2.51072e-06% change)
linmin: converged after 6 iterations.
iteration 733: trace = 2.451791747921329 (9.42145e-07% change)
linmin: converged after 4 iterations.
iteration 734: trace = 2.45179172199811 (1.05732e-06% change)
linmin: converged after 2 iterations.
iteration 735: trace = 2.451791681180189 (1.66482e-06% change)
linmin: converged after 21 iterations.
iteration 736: trace = 2.451791663920676 (7.03955e-07% change)
large trace change predicted (1.42046e-06%)
linmin: converged after 3 iterations.
iteration 737: trace = 2.451791629094082 (1.42045e-06% change)
linmin: converged after 3 iterations.
iteration 738: trace = 2.451791597026106 (1.30794e-06% change)
linmin: converged after 3 iterations.
iteration 739: trace = 2.451791584493572 (5.11158e-07% change)
linmin: converged after 3 iterations.
iteration 740: trace = 2.451791573347998 (4.54589e-07% change)
linmin: converged after 3 iterations.
iteration 741: trace = 2.451791557905974 (6.29826e-07% change)
linmin: converged after 2 iterations.
iteration 742: trace = 2.451791553693612 (1.71808e-07% change)
linmin: converged after 3 iterations.
iteration 743: trace = 2.451791546815618 (2.80529e-07% change)
linmin: converged after 8 iterations.
iteration 744: trace = 2.451791535594135 (4.57685e-07% change)
linmin: converged after 3 iterations.
iteration 745: trace = 2.451791532954725 (1.07652e-07% change)
large trace change predicted (8.23857e-07%)
linmin: converged after 3 iterations.
iteration 746: trace = 2.45179151275595 (8.23837e-07% change)
linmin: converged after 2 iterations.
iteration 747: trace = 2.451791500115765 (5.15549e-07% change)
linmin: converged after 3 iterations.
iteration 748: trace = 2.451791484009999 (6.56898e-07% change)
linmin: converged after 6 iterations.
iteration 749: trace = 2.451791455247939 (1.1731e-06% change)
linmin: converged after 3 iterations.
iteration 750: trace = 2.451791407870619 (1.93236e-06% change)
linmin: converged after 3 iterations.
iteration 751: trace = 2.451791395788454 (4.92789e-07% change)
large trace change predicted (1.05106e-06%)
linmin: converged after 5 iterations.
iteration 752: trace = 2.451791370018292 (1.05107e-06% change)
linmin: converged after 3 iterations.
iteration 753: trace = 2.451791337156644 (1.34031e-06% change)
linmin: converged after 7 iterations.
iteration 754: trace = 2.45179132960818 (3.07875e-07% change)
large trace change predicted (8.59089e-07%)
linmin: converged after 5 iterations.
iteration 755: trace = 2.451791308545715 (8.59064e-07% change)
linmin: converged after 4 iterations.
iteration 756: trace = 2.451791294509581 (5.72485e-07% change)
linmin: converged after 2 iterations.
iteration 757: trace = 2.451791287850632 (2.71595e-07% change)
large trace change predicted (5.73049e-07%)
linmin: converged after 3 iterations.
iteration 758: trace = 2.451791273800747 (5.73046e-07% change)
linmin: converged after 5 iterations.
iteration 759: trace = 2.451791254442803 (7.89543e-07% change)
linmin: converged after 7 iterations.
iteration 760: trace = 2.451791250679621 (1.53487e-07% change)
large trace change predicted (5.76617e-07%)
linmin: converged after 3 iterations.
iteration 761: trace = 2.451791236542554 (5.76602e-07% change)
linmin: converged after 10 iterations.
iteration 762: trace = 2.451791228177568 (3.41179e-07% change)
linmin: converged after 3 iterations.
iteration 763: trace = 2.451791222089034 (2.4833e-07% change)
linmin: converged after 2 iterations.
iteration 764: trace = 2.45179121837512 (1.51478e-07% change)
large trace change predicted (4.70197e-07%)
linmin: converged after 2 iterations.
iteration 765: trace = 2.451791206846856 (4.70198e-07% change)
linmin: converged after 13 iterations.
iteration 766: trace = 2.451791199724155 (2.9051e-07% change)
linmin: converged after 4 iterations.
iteration 767: trace = 2.451791193275321 (2.63025e-07% change)
large trace change predicted (6.02358e-07%)
linmin: converged after 2 iterations.
iteration 768: trace = 2.451791178506686 (6.02361e-07% change)
linmin: converged after 16 iterations.
iteration 769: trace = 2.451791170879737 (3.11077e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 770: trace = 2.451791163588499 (2.97384e-07% change)
linmin: converged after 2 iterations.
iteration 771: trace = 2.451791149922613 (5.57384e-07% change)
linmin: converged after 3 iterations.
iteration 772: trace = 2.45179114388743 (2.46154e-07% change)
linmin: converged after 6 iterations.
iteration 773: trace = 2.451791136832123 (2.87761e-07% change)
linmin: converged after 2 iterations.
iteration 774: trace = 2.451791126337473 (4.2804e-07% change)
linmin: converged after 4 iterations.
iteration 775: trace = 2.451791122995828 (1.36294e-07% change)
linmin: converged after 3 iterations.
iteration 776: trace = 2.45179111679879 (2.52756e-07% change)
linmin: converged after 2 iterations.
iteration 777: trace = 2.451791109191606 (3.1027e-07% change)
linmin: converged after 9 iterations.
iteration 778: trace = 2.45179110239284 (2.77298e-07% change)
linmin: converged after 5 iterations.
iteration 779: trace = 2.451791093004328 (3.82925e-07% change)
linmin: converged after 3 iterations.
iteration 780: trace = 2.451791077222339 (6.43692e-07% change)
linmin: converged after 2 iterations.
iteration 781: trace = 2.451791073093088 (1.68418e-07% change)
large trace change predicted (5.38894e-07%)
linmin: converged after 24 iterations.
iteration 782: trace = 2.451791059880235 (5.38906e-07% change)
linmin: converged after 2 iterations.
iteration 783: trace = 2.451791048214907 (4.75788e-07% change)
linmin: converged after 14 iterations.
iteration 784: trace = 2.451791043662033 (1.85696e-07% change)
large trace change predicted (7.44705e-07%)
linmin: converged after 16 iterations.
iteration 785: trace = 2.451791025402476 (7.44744e-07% change)
linmin: converged after 2 iterations.
iteration 786: trace = 2.451791002705439 (9.25733e-07% change)
linmin: converged after 2 iterations.
iteration 787: trace = 2.451790994296228 (3.42982e-07% change)
large trace change predicted (9.31606e-07%)
linmin: converged after 2 iterations.
iteration 788: trace = 2.451790971454671 (9.31627e-07% change)
linmin: converged after 2 iterations.
iteration 789: trace = 2.451790936202922 (1.4378e-06% change)
linmin: converged after 3 iterations.
iteration 790: trace = 2.451790929346274 (2.79659e-07% change)
large trace change predicted (8.69486e-07%)
linmin: converged after 3 iterations.
iteration 791: trace = 2.451790908027687 (8.69511e-07% change)
linmin: converged after 2 iterations.
iteration 792: trace = 2.451790893576357 (5.89419e-07% change)
linmin: converged after 4 iterations.
iteration 793: trace = 2.451790890020725 (1.45022e-07% change)
large trace change predicted (5.32387e-07%)
linmin: converged after 2 iterations.
iteration 794: trace = 2.451790876967421 (5.32399e-07% change)
linmin: converged after 3 iterations.
iteration 795: trace = 2.451790868820841 (3.32271e-07% change)
linmin: converged after 20 iterations.
iteration 796: trace = 2.451790866257376 (1.04555e-07% change)
linmin: converged after 2 iterations.
iteration 797: trace = 2.451790861780407 (1.826e-07% change)
large trace change predicted (3.96954e-07%)
linmin: converged after 2 iterations.
iteration 798: trace = 2.451790852047909 (3.96955e-07% change)
linmin: converged after 6 iterations.
iteration 799: trace = 2.451790847076646 (2.02761e-07% change)
large trace change predicted (4.08768e-07%)
linmin: converged after 5 iterations.
iteration 800: trace = 2.451790837054765 (4.08758e-07% change)
linmin: converged after 3 iterations.
iteration 801: trace = 2.451790817335906 (8.04264e-07% change)
linmin: converged after 6 iterations.
iteration 802: trace = 2.451790794602013 (9.27236e-07% change)
linmin: converged after 3 iterations.
iteration 803: trace = 2.451790786000812 (3.50813e-07% change)
large trace change predicted (1.02455e-06%)
linmin: converged after 5 iterations.
iteration 804: trace = 2.451790760882183 (1.0245e-06% change)
linmin: converged after 16 iterations.
iteration 805: trace = 2.451790740503937 (8.31158e-07% change)
linmin: converged after 4 iterations.
iteration 806: trace = 2.451790730236656 (4.18767e-07% change)
large trace change predicted (1.1669e-06%)
linmin: converged after 3 iterations.
iteration 807: trace = 2.451790701629887 (1.16677e-06% change)
linmin: converged after 4 iterations.
iteration 808: trace = 2.451790674914408 (1.08963e-06% change)
linmin: converged after 11 iterations.
iteration 809: trace = 2.451790667117731 (3.17999e-07% change)
large trace change predicted (7.77162e-07%)
linmin: converged after 14 iterations.
iteration 810: trace = 2.451790648064388 (7.7712e-07% change)
linmin: converged after 4 iterations.
iteration 811: trace = 2.451790640953193 (2.90041e-07% change)
linmin: converged after 4 iterations.
iteration 812: trace = 2.451790637185523 (1.5367e-07% change)
large trace change predicted (3.43254e-07%)
linmin: converged after 12 iterations.
iteration 813: trace = 2.451790628769825 (3.43247e-07% change)
linmin: converged after 4 iterations.
iteration 814: trace = 2.451790625950864 (1.14976e-07% change)
linmin: converged after 8 iterations.
iteration 815: trace = 2.451790622016659 (1.60462e-07% change)
large trace change predicted (3.50387e-07%)
linmin: converged after 2 iterations.
iteration 816: trace = 2.451790613425877 (3.50388e-07% change)
linmin: converged after 4 iterations.
iteration 817: trace = 2.451790604263075 (3.73719e-07% change)
linmin: converged after 3 iterations.
iteration 818: trace = 2.451790596543134 (3.1487e-07% change)
large trace change predicted (7.49179e-07%)
linmin: converged after 3 iterations.
iteration 819: trace = 2.451790578173797 (7.49221e-07% change)
linmin: converged after 3 iterations.
iteration 820: trace = 2.451790565854311 (5.02469e-07% change)
linmin: converged after 5 iterations.
iteration 821: trace = 2.45179055377303 (4.92753e-07% change)
large trace change predicted (1.24216e-06%)
linmin: converged after 3 iterations.
iteration 822: trace = 2.451790523313139 (1.24235e-06% change)
linmin: converged after 4 iterations.
iteration 823: trace = 2.451790506795848 (6.73683e-07% change)
linmin: converged after 3 iterations.
iteration 824: trace = 2.451790490932665 (6.47004e-07% change)
linmin: converged after 3 iterations.
iteration 825: trace = 2.451790475293392 (6.37872e-07% change)
linmin: converged after 10 iterations.
iteration 826: trace = 2.451790466892733 (3.42634e-07% change)
linmin: converged after 5 iterations.
iteration 827: trace = 2.451790458534979 (3.40884e-07% change)
linmin: converged after 2 iterations.
iteration 828: trace = 2.451790442893108 (6.37977e-07% change)
linmin: converged after 5 iterations.
iteration 829: trace = 2.451790433408977 (3.86825e-07% change)
linmin: converged after 16 iterations.
iteration 830: trace = 2.451790426941059 (2.63804e-07% change)
large trace change predicted (7.12545e-07%)
linmin: converged after 5 iterations.
iteration 831: trace = 2.451790409470244 (7.12574e-07% change)
linmin: converged after 19 iterations.
iteration 832: trace = 2.451790402203408 (2.96389e-07% change)
linmin: converged after 4 iterations.
iteration 833: trace = 2.451790393834325 (3.41346e-07% change)
linmin: converged after 2 iterations.
iteration 834: trace = 2.451790380438437 (5.46372e-07% change)
linmin: converged after 10 iterations.
iteration 835: trace = 2.451790373523198 (2.82049e-07% change)
linmin: converged after 4 iterations.
iteration 836: trace = 2.451790370151761 (1.37509e-07% change)
large trace change predicted (5.80216e-07%)
linmin: converged after 25 iterations.
iteration 837: trace = 2.451790355925887 (5.80224e-07% change)
linmin: converged after 3 iterations.
iteration 838: trace = 2.451790340317039 (6.36631e-07% change)
linmin: converged after 2 iterations.
iteration 839: trace = 2.451790324464929 (6.46552e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 840: trace = 2.451790309779352 (5.98974e-07% change)
linmin: converged after 18 iterations.
iteration 841: trace = 2.45179029649365 (5.41878e-07% change)
linmin: converged after 3 iterations.
iteration 842: trace = 2.45179028307721 (5.4721e-07% change)
linmin: converged after 3 iterations.
iteration 843: trace = 2.451790279670369 (1.38953e-07% change)
linmin: converged after 3 iterations.
iteration 844: trace = 2.451790273062005 (2.69532e-07% change)
linmin: converged after 21 iterations.
iteration 845: trace = 2.451790261480712 (4.72361e-07% change)
linmin: converged after 4 iterations.
iteration 846: trace = 2.451790259224823 (9.20098e-08% change)
large trace change predicted (4.1551e-07%)
linmin: converged after 16 iterations.
iteration 847: trace = 2.451790249037572 (4.15503e-07% change)
linmin: converged after 10 iterations.
iteration 848: trace = 2.451790237706153 (4.62169e-07% change)
linmin: converged after 7 iterations.
iteration 849: trace = 2.451790232156626 (2.26346e-07% change)
linmin: converged after 3 iterations.
iteration 850: trace = 2.451790222441097 (3.96263e-07% change)
linmin: converged after 4 iterations.
iteration 851: trace = 2.451790213537884 (3.63131e-07% change)
linmin: converged after 16 iterations.
iteration 852: trace = 2.451790208676213 (1.98291e-07% change)
large trace change predicted (4.41386e-07%)
linmin: converged after 6 iterations.
iteration 853: trace = 2.451790197854555 (4.41378e-07% change)
linmin: converged after 3 iterations.
iteration 854: trace = 2.451790191124031 (2.74515e-07% change)
linmin: converged after 4 iterations.
iteration 855: trace = 2.451790184160896 (2.84002e-07% change)
large trace change predicted (7.53085e-07%)
linmin: converged after 4 iterations.
iteration 856: trace = 2.451790165698048 (7.53035e-07% change)
linmin: converged after 6 iterations.
iteration 857: trace = 2.45179015009668 (6.36326e-07% change)
linmin: converged after 3 iterations.
iteration 858: trace = 2.451790143604585 (2.6479e-07% change)
linmin: converged after 14 iterations.
iteration 859: trace = 2.451790132254787 (4.62919e-07% change)
linmin: converged after 4 iterations.
iteration 860: trace = 2.451790121261698 (4.4837e-07% change)
linmin: converged after 4 iterations.
iteration 861: trace = 2.451790118898645 (9.63807e-08% change)
large trace change predicted (3.79461e-07%)
linmin: converged after 3 iterations.
iteration 862: trace = 2.45179010959524 (3.79454e-07% change)
linmin: converged after 6 iterations.
iteration 863: trace = 2.45179010705539 (1.03592e-07% change)
linmin: converged after 6 iterations.
iteration 864: trace = 2.451790104476392 (1.05188e-07% change)
linmin: converged after 7 iterations.
iteration 865: trace = 2.451790101403323 (1.2534e-07% change)
linmin: converged after 3 iterations.
iteration 866: trace = 2.451790097444481 (1.61467e-07% change)
linmin: converged after 15 iterations.
iteration 867: trace = 2.451790095628192 (7.40801e-08% change)
large trace change predicted (1.95522e-07%)
linmin: converged after 23 iterations.
iteration 868: trace = 2.451790090834302 (1.95526e-07% change)
large trace change predicted (4.25874e-07%)
linmin: converged after 9 iterations.
iteration 869: trace = 2.45179008039213 (4.259e-07% change)
linmin: converged after 4 iterations.
iteration 870: trace = 2.451790077448802 (1.20048e-07% change)
large trace change predicted (6.0249e-07%)
linmin: converged after 2 iterations.
iteration 871: trace = 2.451790062675531 (6.0255e-07% change)
linmin: converged after 5 iterations.
iteration 872: trace = 2.451790051455813 (4.57613e-07% change)
linmin: converged after 15 iterations.
iteration 873: trace = 2.451790045147716 (2.57285e-07% change)
linmin: converged after 4 iterations.
iteration 874: trace = 2.451790035301876 (4.01578e-07% change)
linmin: converged after 5 iterations.
iteration 875: trace = 2.451790024447664 (4.42706e-07% change)
linmin: converged after 15 iterations.
iteration 876: trace = 2.451790020630139 (1.55704e-07% change)
large trace change predicted (4.65255e-07%)
linmin: converged after 3 iterations.
iteration 877: trace = 2.451790009222636 (4.65272e-07% change)
linmin: converged after 4 iterations.
iteration 878: trace = 2.451790002210733 (2.85991e-07% change)
linmin: converged after 4 iterations.
iteration 879: trace = 2.451789999285162 (1.19324e-07% change)
linmin: converged after 4 iterations.
iteration 880: trace = 2.45178999465364 (1.88904e-07% change)
linmin: converged after 4 iterations.
iteration 881: trace = 2.451789991462778 (1.30144e-07% change)
linmin: converged after 10 iterations.
iteration 882: trace = 2.451789989911505 (6.3271e-08% change)
linmin: converged after 2 iterations.
iteration 883: trace = 2.451789987774147 (8.71754e-08% change)
linmin: converged after 3 iterations.
iteration 884: trace = 2.45178998561956 (8.78781e-08% change)
linmin: converged after 32 iterations.
iteration 885: trace = 2.451789984060726 (6.35794e-08% change)
large trace change predicted (2.26079e-07%)
linmin: converged after 3 iterations.
iteration 886: trace = 2.451789978517803 (2.26077e-07% change)
linmin: converged after 3 iterations.
iteration 887: trace = 2.451789975618574 (1.18249e-07% change)
linmin: converged after 21 iterations.
iteration 888: trace = 2.451789970752478 (1.98471e-07% change)
linmin: converged after 3 iterations.
iteration 889: trace = 2.451789963007556 (3.15888e-07% change)
linmin: converged after 3 iterations.
iteration 890: trace = 2.4517899579975 (2.04343e-07% change)
linmin: converged after 3 iterations.
iteration 891: trace = 2.45178994846777 (3.88685e-07% change)
linmin: converged after 9 iterations.
iteration 892: trace = 2.451789940500019 (3.24977e-07% change)
linmin: converged after 2 iterations.
iteration 893: trace = 2.451789931682476 (3.59637e-07% change)
linmin: converged after 11 iterations.
iteration 894: trace = 2.451789929697368 (8.09657e-08% change)
large trace change predicted (2.14415e-07%)
linmin: converged after 16 iterations.
iteration 895: trace = 2.451789924440501 (2.14409e-07% change)
linmin: converged after 3 iterations.
iteration 896: trace = 2.451789920666248 (1.53939e-07% change)
linmin: converged after 9 iterations.
iteration 897: trace = 2.451789918914021 (7.14673e-08% change)
linmin: converged after 8 iterations.
iteration 898: trace = 2.451789915531875 (1.37946e-07% change)
linmin: converged after 3 iterations.
iteration 899: trace = 2.451789911150354 (1.78707e-07% change)
linmin: converged after 4 iterations.
iteration 900: trace = 2.451789909905673 (5.07662e-08% change)
large trace change predicted (1.76165e-07%)
linmin: converged after 3 iterations.
iteration 901: trace = 2.451789905586541 (1.76162e-07% change)
linmin: converged after 4 iterations.
iteration 902: trace = 2.451789904563604 (4.17221e-08% change)
linmin: converged after 3 iterations.
iteration 903: trace = 2.451789902854239 (6.97191e-08% change)
linmin: converged after 3 iterations.
iteration 904: trace = 2.451789900655728 (8.96697e-08% change)
linmin: converged after 2 iterations.
iteration 905: trace = 2.451789897972549 (1.09438e-07% change)
linmin: converged after 4 iterations.
iteration 906: trace = 2.451789896889578 (4.41706e-08% change)
large trace change predicted (1.05592e-07%)
linmin: converged after 2 iterations.
iteration 907: trace = 2.45178989430069 (1.05592e-07% change)
linmin: converged after 2 iterations.
iteration 908: trace = 2.451789890957687 (1.36349e-07% change)
linmin: converged after 3 iterations.
iteration 909: trace = 2.451789889732013 (4.9991e-08% change)
resetting CG direction...
linmin: converged after 8 iterations.
iteration 910: trace = 2.451789888533851 (4.88689e-08% change)
large trace change predicted (1.2737e-07%)
linmin: converged after 2 iterations.
iteration 911: trace = 2.451789885411004 (1.2737e-07% change)
linmin: converged after 4 iterations.
iteration 912: trace = 2.451789882973843 (9.94033e-08% change)
linmin: converged after 4 iterations.
iteration 913: trace = 2.451789881904536 (4.36133e-08% change)
large trace change predicted (1.05932e-07%)
linmin: converged after 4 iterations.
iteration 914: trace = 2.451789879307316 (1.05932e-07% change)
linmin: converged after 4 iterations.
iteration 915: trace = 2.451789877254513 (8.37267e-08% change)
linmin: converged after 3 iterations.
iteration 916: trace = 2.451789875938015 (5.36954e-08% change)
linmin: converged after 4 iterations.
iteration 917: trace = 2.451789874643029 (5.2818e-08% change)
large trace change predicted (1.47752e-07%)
linmin: converged after 3 iterations.
iteration 918: trace = 2.451789871020394 (1.47755e-07% change)
linmin: converged after 4 iterations.
iteration 919: trace = 2.451789870072425 (3.86643e-08% change)
large trace change predicted (1.29495e-07%)
linmin: converged after 6 iterations.
iteration 920: trace = 2.45178986689743 (1.29497e-07% change)
linmin: converged after 2 iterations.
iteration 921: trace = 2.451789863729079 (1.29226e-07% change)
linmin: converged after 4 iterations.
iteration 922: trace = 2.451789862594803 (4.62632e-08% change)
large trace change predicted (1.72944e-07%)
linmin: converged after 6 iterations.
iteration 923: trace = 2.45178985835452 (1.72946e-07% change)
linmin: converged after 18 iterations.
iteration 924: trace = 2.451789854009284 (1.77227e-07% change)
linmin: converged after 3 iterations.
iteration 925: trace = 2.451789852099355 (7.78994e-08% change)
large trace change predicted (2.94273e-07%)
linmin: converged after 3 iterations.
iteration 926: trace = 2.451789844884257 (2.94279e-07% change)
linmin: converged after 19 iterations.
iteration 927: trace = 2.451789839801303 (2.07316e-07% change)
linmin: converged after 4 iterations.
iteration 928: trace = 2.451789837325225 (1.00991e-07% change)
large trace change predicted (3.74766e-07%)
linmin: converged after 3 iterations.
iteration 929: trace = 2.451789828136397 (3.7478e-07% change)
linmin: converged after 4 iterations.
iteration 930: trace = 2.451789824134031 (1.63243e-07% change)
linmin: converged after 7 iterations.
iteration 931: trace = 2.451789820661545 (1.41631e-07% change)
linmin: converged after 3 iterations.
iteration 932: trace = 2.451789816782019 (1.58232e-07% change)
linmin: converged after 9 iterations.
iteration 933: trace = 2.451789813578717 (1.30652e-07% change)
linmin: converged after 4 iterations.
iteration 934: trace = 2.451789812508383 (4.36552e-08% change)
large trace change predicted (8.96536e-08%)
linmin: converged after 4 iterations.
iteration 935: trace = 2.451789810310252 (8.96541e-08% change)
linmin: converged after 5 iterations.
iteration 936: trace = 2.451789808910722 (5.7082e-08% change)
linmin: converged after 11 iterations.
iteration 937: trace = 2.451789807462006 (5.90881e-08% change)
linmin: converged after 3 iterations.
iteration 938: trace = 2.451789805875364 (6.47136e-08% change)
linmin: converged after 15 iterations.
iteration 939: trace = 2.451789802780504 (1.26229e-07% change)
linmin: converged after 3 iterations.
iteration 940: trace = 2.451789799165365 (1.47449e-07% change)
linmin: converged after 7 iterations.
iteration 941: trace = 2.451789796291298 (1.17223e-07% change)
large trace change predicted (2.9045e-07%)
linmin: converged after 4 iterations.
iteration 942: trace = 2.451789789170184 (2.90446e-07% change)
linmin: converged after 6 iterations.
iteration 943: trace = 2.45178978657745 (1.05749e-07% change)
large trace change predicted (2.46424e-07%)
linmin: converged after 4 iterations.
iteration 944: trace = 2.451789780535648 (2.46424e-07% change)
linmin: converged after 7 iterations.
iteration 945: trace = 2.451789774993603 (2.26041e-07% change)
linmin: converged after 9 iterations.
iteration 946: trace = 2.451789770389197 (1.87798e-07% change)
linmin: converged after 3 iterations.
iteration 947: trace = 2.451789765370563 (2.04693e-07% change)
linmin: converged after 3 iterations.
iteration 948: trace = 2.451789757170754 (3.34442e-07% change)
linmin: converged after 19 iterations.
iteration 949: trace = 2.451789755008747 (8.81808e-08% change)
linmin: converged after 5 iterations.
iteration 950: trace = 2.451789750811095 (1.71208e-07% change)
linmin: converged after 4 iterations.
iteration 951: trace = 2.451789748463809 (9.57377e-08% change)
linmin: converged after 4 iterations.
iteration 952: trace = 2.451789747695404 (3.13406e-08% change)
large trace change predicted (8.25276e-08%)
linmin: converged after 4 iterations.
iteration 953: trace = 2.45178974567201 (8.25272e-08% change)
linmin: converged after 5 iterations.
iteration 954: trace = 2.451789744313788 (5.53972e-08% change)
linmin: converged after 2 iterations.
iteration 955: trace = 2.451789743483708 (3.38561e-08% change)
linmin: converged after 4 iterations.
iteration 956: trace = 2.451789741842887 (6.69234e-08% change)
large trace change predicted (1.64795e-07%)
linmin: converged after 19 iterations.
iteration 957: trace = 2.451789737802367 (1.64799e-07% change)
linmin: converged after 18 iterations.
iteration 958: trace = 2.4517897369849 (3.33416e-08% change)
large trace change predicted (2.40626e-07%)
linmin: converged after 3 iterations.
iteration 959: trace = 2.451789731084944 (2.40639e-07% change)
linmin: converged after 13 iterations.
iteration 960: trace = 2.451789727801833 (1.33907e-07% change)
linmin: converged after 10 iterations.
iteration 961: trace = 2.451789724031748 (1.53769e-07% change)
linmin: converged after 17 iterations.
iteration 962: trace = 2.451789717437777 (2.68945e-07% change)
linmin: converged after 3 iterations.
iteration 963: trace = 2.451789710619834 (2.7808e-07% change)
linmin: converged after 3 iterations.
iteration 964: trace = 2.451789708627269 (8.12698e-08% change)
linmin: converged after 2 iterations.
iteration 965: trace = 2.451789704819428 (1.55309e-07% change)
linmin: converged after 2 iterations.
iteration 966: trace = 2.451789700866408 (1.6123e-07% change)
linmin: converged after 2 iterations.
iteration 967: trace = 2.451789699702646 (4.74658e-08% change)
large trace change predicted (1.65908e-07%)
linmin: converged after 9 iterations.
iteration 968: trace = 2.451789695634835 (1.65912e-07% change)
linmin: converged after 18 iterations.
iteration 969: trace = 2.451789692516184 (1.27199e-07% change)
linmin: converged after 12 iterations.
iteration 970: trace = 2.45178969012336 (9.7595e-08% change)
linmin: converged after 4 iterations.
iteration 971: trace = 2.451789687186673 (1.19777e-07% change)
linmin: converged after 4 iterations.
iteration 972: trace = 2.451789684013402 (1.29427e-07% change)
linmin: converged after 4 iterations.
iteration 973: trace = 2.451789683230611 (3.19273e-08% change)
large trace change predicted (1.54432e-07%)
linmin: converged after 4 iterations.
iteration 974: trace = 2.451789679444196 (1.54435e-07% change)
linmin: converged after 4 iterations.
iteration 975: trace = 2.4517896774956 (7.94765e-08% change)
linmin: converged after 4 iterations.
iteration 976: trace = 2.451789676277236 (4.96928e-08% change)
large trace change predicted (1.45095e-07%)
linmin: converged after 7 iterations.
iteration 977: trace = 2.45178967271978 (1.45096e-07% change)
linmin: converged after 3 iterations.
iteration 978: trace = 2.451789668089779 (1.88842e-07% change)
linmin: converged after 3 iterations.
iteration 979: trace = 2.451789661871158 (2.53636e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 980: trace = 2.451789655978992 (2.40321e-07% change)
linmin: converged after 7 iterations.
iteration 981: trace = 2.451789651840893 (1.68779e-07% change)
linmin: converged after 7 iterations.
iteration 982: trace = 2.451789648976571 (1.16826e-07% change)
linmin: converged after 2 iterations.
iteration 983: trace = 2.451789647470846 (6.14133e-08% change)
linmin: converged after 3 iterations.
iteration 984: trace = 2.45178964574123 (7.0545e-08% change)
linmin: converged after 3 iterations.
iteration 985: trace = 2.451789643545518 (8.95555e-08% change)
linmin: converged after 3 iterations.
iteration 986: trace = 2.451789642173499 (5.59599e-08% change)
large trace change predicted (1.1649e-07%)
linmin: converged after 4 iterations.
iteration 987: trace = 2.451789639317437 (1.16489e-07% change)
linmin: converged after 25 iterations.
iteration 988: trace = 2.451789637814333 (6.13064e-08% change)
linmin: converged after 19 iterations.
iteration 989: trace = 2.451789635294094 (1.02792e-07% change)
linmin: converged after 3 iterations.
iteration 990: trace = 2.451789632940412 (9.59985e-08% change)
linmin: converged after 3 iterations.
iteration 991: trace = 2.451789631620998 (5.38143e-08% change)
linmin: converged after 9 iterations.
iteration 992: trace = 2.451789629097917 (1.02908e-07% change)
linmin: converged after 4 iterations.
iteration 993: trace = 2.451789626085564 (1.22863e-07% change)
linmin: converged after 6 iterations.
iteration 994: trace = 2.451789624882579 (4.90656e-08% change)
linmin: converged after 3 iterations.
iteration 995: trace = 2.451789622540261 (9.5535e-08% change)
large trace change predicted (1.9429e-07%)
linmin: converged after 29 iterations.
iteration 996: trace = 2.451789617776852 (1.94283e-07% change)
linmin: converged after 4 iterations.
iteration 997: trace = 2.451789615236879 (1.03597e-07% change)
linmin: converged after 5 iterations.
iteration 998: trace = 2.451789612509987 (1.1122e-07% change)
linmin: converged after 21 iterations.
iteration 999: trace = 2.451789609317619 (1.30206e-07% change)
linmin: converged after 9 iterations.
iteration 1000: trace = 2.451789607475173 (7.5147e-08% change)
linmin: converged after 3 iterations.
iteration 1001: trace = 2.451789605338165 (8.71612e-08% change)
linmin: converged after 4 iterations.
iteration 1002: trace = 2.451789602775535 (1.04521e-07% change)
linmin: converged after 4 iterations.
iteration 1003: trace = 2.451789602225163 (2.24477e-08% change)
linmin: converged after 14 iterations.
iteration 1004: trace = 2.451789601429678 (3.24451e-08% change)
linmin: converged after 33 iterations.
iteration 1005: trace = 2.45178960062488 (3.28249e-08% change)
linmin: converged after 17 iterations.
iteration 1006: trace = 2.451789600019859 (2.46767e-08% change)
linmin: converged after 7 iterations.
iteration 1007: trace = 2.4517895991516 (3.54133e-08% change)
linmin: converged after 2 iterations.
iteration 1008: trace = 2.451789597882093 (5.17788e-08% change)
linmin: converged after 10 iterations.
iteration 1009: trace = 2.451789596104106 (7.25179e-08% change)
linmin: converged after 4 iterations.
iteration 1010: trace = 2.451789594545208 (6.35821e-08% change)
large trace change predicted (1.67227e-07%)
linmin: converged after 5 iterations.
iteration 1011: trace = 2.451789590444923 (1.67236e-07% change)
linmin: converged after 25 iterations.
iteration 1012: trace = 2.45178958769409 (1.12197e-07% change)
linmin: converged after 14 iterations.
iteration 1013: trace = 2.45178958573254 (8.00049e-08% change)
linmin: converged after 18 iterations.
iteration 1014: trace = 2.451789583208535 (1.02945e-07% change)
linmin: converged after 10 iterations.
iteration 1015: trace = 2.451789580460516 (1.12082e-07% change)
linmin: converged after 3 iterations.
iteration 1016: trace = 2.451789579475492 (4.01757e-08% change)
large trace change predicted (1.2567e-07%)
linmin: converged after 4 iterations.
iteration 1017: trace = 2.451789576394273 (1.25672e-07% change)
linmin: converged after 13 iterations.
iteration 1018: trace = 2.451789574570138 (7.44001e-08% change)
linmin: converged after 2 iterations.
iteration 1019: trace = 2.451789573720643 (3.4648e-08% change)
linmin: converged after 8 iterations.
iteration 1020: trace = 2.451789572508435 (4.94418e-08% change)
linmin: converged after 2 iterations.
iteration 1021: trace = 2.451789571573996 (3.81125e-08% change)
linmin: converged after 3 iterations.
iteration 1022: trace = 2.451789571273923 (1.22389e-08% change)
linmin: converged after 4 iterations.
iteration 1023: trace = 2.451789570750298 (2.13568e-08% change)
linmin: converged after 4 iterations.
iteration 1024: trace = 2.451789570126833 (2.5429e-08% change)
linmin: converged after 6 iterations.
iteration 1025: trace = 2.451789569776392 (1.42933e-08% change)
large trace change predicted (5.94042e-08%)
linmin: converged after 6 iterations.
iteration 1026: trace = 2.451789568319939 (5.94037e-08% change)
linmin: converged after 3 iterations.
iteration 1027: trace = 2.451789567457952 (3.51575e-08% change)
linmin: converged after 4 iterations.
iteration 1028: trace = 2.451789566347172 (4.53048e-08% change)
linmin: converged after 3 iterations.
iteration 1029: trace = 2.451789564307751 (8.31809e-08% change)
linmin: converged after 8 iterations.
iteration 1030: trace = 2.451789561996814 (9.42551e-08% change)
linmin: converged after 6 iterations.
iteration 1031: trace = 2.451789560545204 (5.92061e-08% change)
linmin: converged after 3 iterations.
iteration 1032: trace = 2.451789558445644 (8.56338e-08% change)
linmin: converged after 4 iterations.
iteration 1033: trace = 2.451789556752543 (6.90557e-08% change)
linmin: converged after 2 iterations.
iteration 1034: trace = 2.451789555747037 (4.10111e-08% change)
linmin: converged after 8 iterations.
iteration 1035: trace = 2.4517895541325 (6.58514e-08% change)
linmin: converged after 4 iterations.
iteration 1036: trace = 2.451789552990859 (4.65636e-08% change)
linmin: converged after 10 iterations.
iteration 1037: trace = 2.451789552597349 (1.60499e-08% change)
linmin: converged after 4 iterations.
iteration 1038: trace = 2.451789551828049 (3.13771e-08% change)
linmin: converged after 11 iterations.
iteration 1039: trace = 2.451789550596152 (5.02448e-08% change)
linmin: converged after 4 iterations.
iteration 1040: trace = 2.451789550296945 (1.22036e-08% change)
large trace change predicted (4.1411e-08%)
linmin: converged after 3 iterations.
iteration 1041: trace = 2.451789549281639 (4.14108e-08% change)
linmin: converged after 4 iterations.
iteration 1042: trace = 2.451789548760959 (2.12367e-08% change)
linmin: converged after 3 iterations.
iteration 1043: trace = 2.451789548535636 (9.19014e-09% change)
large trace change predicted (2.14469e-08%)
linmin: converged after 2 iterations.
iteration 1044: trace = 2.451789548009803 (2.14469e-08% change)
linmin: converged after 3 iterations.
iteration 1045: trace = 2.45178954741993 (2.40589e-08% change)
linmin: converged after 4 iterations.
iteration 1046: trace = 2.451789547097788 (1.31391e-08% change)
large trace change predicted (3.00318e-08%)
linmin: converged after 25 iterations.
iteration 1047: trace = 2.451789546361467 (3.0032e-08% change)
linmin: converged after 2 iterations.
iteration 1048: trace = 2.45178954531799 (4.25598e-08% change)
linmin: converged after 4 iterations.
iteration 1049: trace = 2.45178954503696 (1.14622e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1050: trace = 2.451789544764952 (1.10943e-08% change)
large trace change predicted (3.87873e-08%)
linmin: converged after 2 iterations.
iteration 1051: trace = 2.451789543813969 (3.87873e-08% change)
linmin: converged after 4 iterations.
iteration 1052: trace = 2.451789543334399 (1.956e-08% change)
linmin: converged after 3 iterations.
iteration 1053: trace = 2.451789542889757 (1.81354e-08% change)
linmin: converged after 3 iterations.
iteration 1054: trace = 2.451789542213203 (2.75943e-08% change)
linmin: converged after 2 iterations.
iteration 1055: trace = 2.451789541731634 (1.96415e-08% change)
linmin: converged after 4 iterations.
iteration 1056: trace = 2.451789541525542 (8.4058e-09% change)
large trace change predicted (2.13722e-08%)
linmin: converged after 7 iterations.
iteration 1057: trace = 2.451789541001534 (2.13725e-08% change)
linmin: converged after 10 iterations.
iteration 1058: trace = 2.451789540308194 (2.82789e-08% change)
linmin: converged after 10 iterations.
iteration 1059: trace = 2.451789539845627 (1.88665e-08% change)
large trace change predicted (4.14182e-08%)
linmin: converged after 6 iterations.
iteration 1060: trace = 2.451789538830124 (4.14188e-08% change)
linmin: converged after 29 iterations.
iteration 1061: trace = 2.451789538384306 (1.81834e-08% change)
linmin: converged after 17 iterations.
iteration 1062: trace = 2.45178953783625 (2.23533e-08% change)
linmin: converged after 4 iterations.
iteration 1063: trace = 2.451789536758813 (4.39449e-08% change)
linmin: converged after 4 iterations.
iteration 1064: trace = 2.451789536364786 (1.6071e-08% change)
large trace change predicted (5.01252e-08%)
linmin: converged after 4 iterations.
iteration 1065: trace = 2.451789535135801 (5.0126e-08% change)
linmin: converged after 11 iterations.
iteration 1066: trace = 2.451789533249406 (7.69395e-08% change)
linmin: converged after 4 iterations.
iteration 1067: trace = 2.45178953210343 (4.67404e-08% change)
linmin: converged after 4 iterations.
iteration 1068: trace = 2.451789531377887 (2.95924e-08% change)
large trace change predicted (8.92514e-08%)
linmin: converged after 10 iterations.
iteration 1069: trace = 2.451789529189583 (8.92533e-08% change)
linmin: converged after 2 iterations.
iteration 1070: trace = 2.451789528090198 (4.48401e-08% change)
linmin: converged after 4 iterations.
iteration 1071: trace = 2.451789527504516 (2.38879e-08% change)
large trace change predicted (6.50385e-08%)
linmin: converged after 9 iterations.
iteration 1072: trace = 2.451789525909891 (6.50392e-08% change)
linmin: converged after 3 iterations.
iteration 1073: trace = 2.451789525135385 (3.15894e-08% change)
linmin: converged after 4 iterations.
iteration 1074: trace = 2.451789524717338 (1.70507e-08% change)
linmin: converged after 9 iterations.
iteration 1075: trace = 2.451789524118881 (2.4409e-08% change)
linmin: converged after 9 iterations.
iteration 1076: trace = 2.451789523747809 (1.51347e-08% change)
linmin: converged after 28 iterations.
iteration 1077: trace = 2.451789523403682 (1.40358e-08% change)
linmin: converged after 4 iterations.
iteration 1078: trace = 2.451789522973627 (1.75404e-08% change)
linmin: converged after 4 iterations.
iteration 1079: trace = 2.451789522135468 (3.41856e-08% change)
linmin: converged after 6 iterations.
iteration 1080: trace = 2.451789521404868 (2.97986e-08% change)
linmin: converged after 10 iterations.
iteration 1081: trace = 2.451789520472709 (3.80195e-08% change)
large trace change predicted (8.04058e-08%)
linmin: converged after 7 iterations.
iteration 1082: trace = 2.451789518501348 (8.0405e-08% change)
linmin: converged after 2 iterations.
iteration 1083: trace = 2.451789517822708 (2.76794e-08% change)
large trace change predicted (5.94225e-08%)
linmin: converged after 4 iterations.
iteration 1084: trace = 2.451789516365803 (5.94221e-08% change)
linmin: converged after 4 iterations.
iteration 1085: trace = 2.451789514886395 (6.03399e-08% change)
linmin: converged after 3 iterations.
iteration 1086: trace = 2.451789513840043 (4.26771e-08% change)
linmin: converged after 4 iterations.
iteration 1087: trace = 2.451789512361514 (6.03041e-08% change)
linmin: converged after 4 iterations.
iteration 1088: trace = 2.451789510120203 (9.14153e-08% change)
linmin: converged after 4 iterations.
iteration 1089: trace = 2.451789509586878 (2.17525e-08% change)
large trace change predicted (4.46714e-08%)
linmin: converged after 7 iterations.
iteration 1090: trace = 2.451789508491644 (4.46708e-08% change)
linmin: converged after 4 iterations.
iteration 1091: trace = 2.451789507833981 (2.68238e-08% change)
linmin: converged after 4 iterations.
iteration 1092: trace = 2.451789507554888 (1.13832e-08% change)
linmin: converged after 4 iterations.
iteration 1093: trace = 2.451789507161801 (1.60327e-08% change)
linmin: converged after 3 iterations.
iteration 1094: trace = 2.451789506798649 (1.48117e-08% change)
linmin: converged after 2 iterations.
iteration 1095: trace = 2.451789506329276 (1.91441e-08% change)
linmin: converged after 4 iterations.
iteration 1096: trace = 2.451789506109167 (8.97748e-09% change)
large trace change predicted (4.59958e-08%)
linmin: converged after 8 iterations.
iteration 1097: trace = 2.451789504981427 (4.59966e-08% change)
linmin: converged after 3 iterations.
iteration 1098: trace = 2.45178950474344 (9.70666e-09% change)
large trace change predicted (6.06069e-08%)
linmin: converged after 19 iterations.
iteration 1099: trace = 2.45178950325744 (6.06088e-08% change)
linmin: converged after 20 iterations.
iteration 1100: trace = 2.451789502095743 (4.73816e-08% change)
linmin: converged after 4 iterations.
iteration 1101: trace = 2.451789501405261 (2.81623e-08% change)
large trace change predicted (6.9544e-08%)
linmin: converged after 22 iterations.
iteration 1102: trace = 2.451789499700134 (6.95462e-08% change)
linmin: converged after 20 iterations.
iteration 1103: trace = 2.451789497841726 (7.5798e-08% change)
linmin: converged after 4 iterations.
iteration 1104: trace = 2.451789497378323 (1.89006e-08% change)
large trace change predicted (3.90832e-08%)
linmin: converged after 4 iterations.
iteration 1105: trace = 2.451789496420082 (3.90833e-08% change)
linmin: converged after 6 iterations.
iteration 1106: trace = 2.451789495353078 (4.35194e-08% change)
linmin: converged after 4 iterations.
iteration 1107: trace = 2.451789494381687 (3.96197e-08% change)
linmin: converged after 26 iterations.
iteration 1108: trace = 2.45178949397928 (1.64128e-08% change)
linmin: converged after 4 iterations.
iteration 1109: trace = 2.451789493224568 (3.07821e-08% change)
linmin: converged after 3 iterations.
iteration 1110: trace = 2.451789492080667 (4.66557e-08% change)
linmin: converged after 7 iterations.
iteration 1111: trace = 2.451789491803318 (1.13121e-08% change)
large trace change predicted (3.89193e-08%)
linmin: converged after 4 iterations.
iteration 1112: trace = 2.451789490849095 (3.89195e-08% change)
linmin: converged after 6 iterations.
iteration 1113: trace = 2.451789490467708 (1.55555e-08% change)
linmin: converged after 22 iterations.
iteration 1114: trace = 2.451789489721389 (3.04397e-08% change)
linmin: converged after 36 iterations.
iteration 1115: trace = 2.451789489126382 (2.42683e-08% change)
linmin: converged after 3 iterations.
iteration 1116: trace = 2.451789488459372 (2.7205e-08% change)
linmin: converged after 32 iterations.
iteration 1117: trace = 2.451789488058363 (1.63558e-08% change)
large trace change predicted (5.87847e-08%)
linmin: converged after 3 iterations.
iteration 1118: trace = 2.451789486617093 (5.87844e-08% change)
large trace change predicted (1.4183e-07%)
linmin: converged after 13 iterations.
iteration 1119: trace = 2.451789483139668 (1.41832e-07% change)
resetting CG direction...
linmin: converged after 13 iterations.
iteration 1120: trace = 2.451789480630685 (1.02333e-07% change)
linmin: converged after 2 iterations.
iteration 1121: trace = 2.451789478983771 (6.71719e-08% change)
linmin: converged after 36 iterations.
iteration 1122: trace = 2.451789478350402 (2.58329e-08% change)
linmin: converged after 4 iterations.
iteration 1123: trace = 2.451789477962928 (1.58037e-08% change)
linmin: converged after 29 iterations.
iteration 1124: trace = 2.451789477373786 (2.4029e-08% change)
linmin: converged after 4 iterations.
iteration 1125: trace = 2.451789476805078 (2.31957e-08% change)
linmin: converged after 17 iterations.
iteration 1126: trace = 2.45178947662315 (7.42022e-09% change)
large trace change predicted (3.2743e-08%)
linmin: converged after 4 iterations.
iteration 1127: trace = 2.451789475820365 (3.27428e-08% change)
linmin: converged after 4 iterations.
iteration 1128: trace = 2.45178947564654 (7.08972e-09% change)
large trace change predicted (3.14492e-08%)
linmin: converged after 6 iterations.
iteration 1129: trace = 2.451789474875475 (3.14491e-08% change)
linmin: converged after 6 iterations.
iteration 1130: trace = 2.451789474248778 (2.55608e-08% change)
linmin: converged after 13 iterations.
iteration 1131: trace = 2.451789474036201 (8.67028e-09% change)
large trace change predicted (3.17825e-08%)
linmin: converged after 6 iterations.
iteration 1132: trace = 2.451789473256964 (3.17824e-08% change)
linmin: converged after 4 iterations.
iteration 1133: trace = 2.451789472520535 (3.00364e-08% change)
linmin: converged after 2 iterations.
iteration 1134: trace = 2.451789471871875 (2.64566e-08% change)
linmin: converged after 29 iterations.
iteration 1135: trace = 2.451789471526069 (1.41042e-08% change)
large trace change predicted (3.80841e-08%)
linmin: converged after 3 iterations.
iteration 1136: trace = 2.45178947059233 (3.8084e-08% change)
linmin: converged after 4 iterations.
iteration 1137: trace = 2.451789469664519 (3.78422e-08% change)
linmin: converged after 11 iterations.
iteration 1138: trace = 2.451789469091507 (2.33712e-08% change)
linmin: converged after 6 iterations.
iteration 1139: trace = 2.451789468374256 (2.92542e-08% change)
linmin: converged after 4 iterations.
iteration 1140: trace = 2.451789467590034 (3.19857e-08% change)
linmin: converged after 3 iterations.
iteration 1141: trace = 2.451789467339994 (1.01982e-08% change)
large trace change predicted (2.61253e-08%)
linmin: converged after 17 iterations.
iteration 1142: trace = 2.45178946669946 (2.61252e-08% change)
linmin: converged after 2 iterations.
iteration 1143: trace = 2.451789466498957 (8.17785e-09% change)
linmin: converged after 4 iterations.
iteration 1144: trace = 2.451789466325133 (7.08966e-09% change)
linmin: converged after 4 iterations.
iteration 1145: trace = 2.451789466134469 (7.77652e-09% change)
linmin: converged after 4 iterations.
iteration 1146: trace = 2.451789465902062 (9.47908e-09% change)
linmin: converged after 4 iterations.
iteration 1147: trace = 2.451789465794777 (4.3758e-09% change)
large trace change predicted (1.37995e-08%)
linmin: converged after 5 iterations.
iteration 1148: trace = 2.451789465456438 (1.37997e-08% change)
linmin: converged after 22 iterations.
iteration 1149: trace = 2.451789465165677 (1.18591e-08% change)
linmin: converged after 4 iterations.
iteration 1150: trace = 2.451789464751201 (1.6905e-08% change)
large trace change predicted (4.12834e-08%)
linmin: converged after 20 iterations.
iteration 1151: trace = 2.451789463738994 (4.12844e-08% change)
linmin: converged after 4 iterations.
iteration 1152: trace = 2.451789463523387 (8.79385e-09% change)
large trace change predicted (4.27125e-08%)
linmin: converged after 7 iterations.
iteration 1153: trace = 2.451789462476134 (4.27138e-08% change)
linmin: converged after 4 iterations.
iteration 1154: trace = 2.451789461864873 (2.49312e-08% change)
linmin: converged after 33 iterations.
iteration 1155: trace = 2.451789461204659 (2.69278e-08% change)
linmin: converged after 4 iterations.
iteration 1156: trace = 2.451789460935516 (1.09774e-08% change)
large trace change predicted (3.16184e-08%)
linmin: converged after 16 iterations.
iteration 1157: trace = 2.451789460160291 (3.16188e-08% change)
linmin: converged after 26 iterations.
iteration 1158: trace = 2.451789459934806 (9.19675e-09% change)
large trace change predicted (1.87064e-08%)
linmin: converged after 4 iterations.
iteration 1159: trace = 2.451789459476167 (1.87063e-08% change)
linmin: converged after 4 iterations.
iteration 1160: trace = 2.451789459151386 (1.32467e-08% change)
linmin: converged after 21 iterations.
iteration 1161: trace = 2.451789458887798 (1.07508e-08% change)
linmin: converged after 16 iterations.
iteration 1162: trace = 2.451789458797393 (3.68731e-09% change)
linmin: converged after 2 iterations.
iteration 1163: trace = 2.451789458716712 (3.29071e-09% change)
large trace change predicted (8.21454e-09%)
linmin: converged after 4 iterations.
iteration 1164: trace = 2.451789458515308 (8.21456e-09% change)
linmin: converged after 28 iterations.
iteration 1165: trace = 2.451789458457315 (2.36532e-09% change)
large trace change predicted (1.35978e-08%)
linmin: converged after 4 iterations.
iteration 1166: trace = 2.451789458123929 (1.35977e-08% change)
linmin: converged after 2 iterations.
iteration 1167: trace = 2.45178945783701 (1.17024e-08% change)
linmin: converged after 4 iterations.
iteration 1168: trace = 2.451789457609028 (9.2986e-09% change)
large trace change predicted (1.97294e-08%)
linmin: converged after 7 iterations.
iteration 1169: trace = 2.451789457125304 (1.97294e-08% change)
linmin: converged after 6 iterations.
iteration 1170: trace = 2.451789456375531 (3.05806e-08% change)
linmin: converged after 25 iterations.
iteration 1171: trace = 2.451789456195479 (7.34371e-09% change)
large trace change predicted (2.14775e-08%)
linmin: converged after 4 iterations.
iteration 1172: trace = 2.451789455668895 (2.14775e-08% change)
linmin: converged after 14 iterations.
iteration 1173: trace = 2.451789455137738 (2.16641e-08% change)
linmin: converged after 4 iterations.
iteration 1174: trace = 2.451789454982709 (6.32313e-09% change)
large trace change predicted (1.54635e-08%)
linmin: converged after 3 iterations.
iteration 1175: trace = 2.451789454603575 (1.54635e-08% change)
linmin: converged after 3 iterations.
iteration 1176: trace = 2.451789454303246 (1.22494e-08% change)
linmin: converged after 21 iterations.
iteration 1177: trace = 2.451789454212239 (3.71187e-09% change)
large trace change predicted (8.45974e-09%)
linmin: converged after 4 iterations.
iteration 1178: trace = 2.451789454004825 (8.4597e-09% change)
linmin: converged after 4 iterations.
iteration 1179: trace = 2.451789453753912 (1.02339e-08% change)
linmin: converged after 18 iterations.
iteration 1180: trace = 2.451789453664577 (3.64367e-09% change)
large trace change predicted (9.73272e-09%)
linmin: converged after 23 iterations.
iteration 1181: trace = 2.451789453425953 (9.73266e-09% change)
linmin: converged after 3 iterations.
iteration 1182: trace = 2.451789453270331 (6.34725e-09% change)
linmin: converged after 3 iterations.
iteration 1183: trace = 2.451789453209195 (2.49353e-09% change)
linmin: converged after 4 iterations.
iteration 1184: trace = 2.451789453100968 (4.41423e-09% change)
linmin: converged after 3 iterations.
iteration 1185: trace = 2.45178945293042 (6.95604e-09% change)
linmin: converged after 15 iterations.
iteration 1186: trace = 2.451789452865569 (2.64506e-09% change)
large trace change predicted (6.84024e-09%)
linmin: converged after 2 iterations.
iteration 1187: trace = 2.451789452697859 (6.84029e-09% change)
linmin: converged after 17 iterations.
iteration 1188: trace = 2.451789452451036 (1.00671e-08% change)
linmin: converged after 5 iterations.
iteration 1189: trace = 2.451789452391796 (2.41622e-09% change)
resetting CG direction...
linmin: converged after 18 iterations.
iteration 1190: trace = 2.451789452334151 (2.35112e-09% change)
large trace change predicted (9.16378e-09%)
linmin: converged after 3 iterations.
iteration 1191: trace = 2.451789452109475 (9.16375e-09% change)
linmin: converged after 15 iterations.
iteration 1192: trace = 2.451789451950074 (6.50145e-09% change)
linmin: converged after 31 iterations.
iteration 1193: trace = 2.451789451879825 (2.8652e-09% change)
large trace change predicted (6.53685e-09%)
linmin: converged after 4 iterations.
iteration 1194: trace = 2.451789451719554 (6.53691e-09% change)
linmin: converged after 10 iterations.
iteration 1195: trace = 2.45178945160773 (4.56089e-09% change)
linmin: converged after 18 iterations.
iteration 1196: trace = 2.451789451553128 (2.22703e-09% change)
large trace change predicted (5.65989e-09%)
linmin: converged after 26 iterations.
iteration 1197: trace = 2.45178945141436 (5.65985e-09% change)
linmin: converged after 19 iterations.
iteration 1198: trace = 2.451789451241763 (7.03964e-09% change)
linmin: converged after 4 iterations.
iteration 1199: trace = 2.451789451126908 (4.68457e-09% change)
large trace change predicted (9.36931e-09%)
linmin: converged after 8 iterations.
iteration 1200: trace = 2.45178945089719 (9.3694e-09% change)
linmin: converged after 26 iterations.
iteration 1201: trace = 2.451789450723077 (7.10144e-09% change)
linmin: converged after 5 iterations.
iteration 1202: trace = 2.451789450640961 (3.34923e-09% change)
large trace change predicted (1.11309e-08%)
linmin: converged after 4 iterations.
iteration 1203: trace = 2.451789450368054 (1.1131e-08% change)
linmin: converged after 4 iterations.
iteration 1204: trace = 2.45178945005646 (1.27088e-08% change)
linmin: converged after 22 iterations.
iteration 1205: trace = 2.451789449939653 (4.76417e-09% change)
large trace change predicted (1.8365e-08%)
linmin: converged after 10 iterations.
iteration 1206: trace = 2.451789449489383 (1.83649e-08% change)
linmin: converged after 4 iterations.
iteration 1207: trace = 2.451789449160268 (1.34235e-08% change)
linmin: converged after 26 iterations.
iteration 1208: trace = 2.451789449004344 (6.35961e-09% change)
large trace change predicted (2.29834e-08%)
linmin: converged after 4 iterations.
iteration 1209: trace = 2.451789448440838 (2.29835e-08% change)
linmin: converged after 12 iterations.
iteration 1210: trace = 2.45178944813881 (1.23187e-08% change)
linmin: converged after 15 iterations.
iteration 1211: trace = 2.451789447946779 (7.83229e-09% change)
linmin: converged after 4 iterations.
iteration 1212: trace = 2.451789447651878 (1.2028e-08% change)
linmin: converged after 4 iterations.
iteration 1213: trace = 2.451789447408313 (9.93416e-09% change)
linmin: converged after 18 iterations.
iteration 1214: trace = 2.45178944736742 (1.66789e-09% change)
large trace change predicted (5.24522e-09%)
linmin: converged after 15 iterations.
iteration 1215: trace = 2.451789447238819 (5.24519e-09% change)
linmin: converged after 19 iterations.
iteration 1216: trace = 2.451789447156592 (3.35376e-09% change)
linmin: converged after 26 iterations.
iteration 1217: trace = 2.45178944711895 (1.5353e-09% change)
large trace change predicted (6.89067e-09%)
linmin: converged after 24 iterations.
iteration 1218: trace = 2.451789446950006 (6.89064e-09% change)
linmin: converged after 7 iterations.
iteration 1219: trace = 2.451789446732954 (8.85277e-09% change)
linmin: converged after 2 iterations.
iteration 1220: trace = 2.451789446535058 (8.07151e-09% change)
linmin: converged after 24 iterations.
iteration 1221: trace = 2.451789446293877 (9.83693e-09% change)
linmin: converged after 3 iterations.
iteration 1222: trace = 2.451789445815967 (1.94923e-08% change)
linmin: converged after 6 iterations.
iteration 1223: trace = 2.451789445384576 (1.7595e-08% change)
linmin: converged after 24 iterations.
iteration 1224: trace = 2.451789445221217 (6.66282e-09% change)
linmin: converged after 4 iterations.
iteration 1225: trace = 2.451789444930302 (1.18654e-08% change)
large trace change predicted (2.38292e-08%)
linmin: converged after 9 iterations.
iteration 1226: trace = 2.451789444346066 (2.3829e-08% change)
linmin: converged after 24 iterations.
iteration 1227: trace = 2.451789444229092 (4.77096e-09% change)
large trace change predicted (2.11461e-08%)
linmin: converged after 11 iterations.
iteration 1228: trace = 2.451789443710641 (2.11458e-08% change)
linmin: converged after 27 iterations.
iteration 1229: trace = 2.451789443500719 (8.562e-09% change)
linmin: converged after 12 iterations.
iteration 1230: trace = 2.451789443342569 (6.45041e-09% change)
linmin: converged after 20 iterations.
iteration 1231: trace = 2.45178944317527 (6.82353e-09% change)
linmin: converged after 3 iterations.
iteration 1232: trace = 2.451789443052179 (5.02047e-09% change)
linmin: converged after 3 iterations.
iteration 1233: trace = 2.451789443001578 (2.06383e-09% change)
linmin: converged after 4 iterations.
iteration 1234: trace = 2.451789442926398 (3.06634e-09% change)
linmin: converged after 2 iterations.
iteration 1235: trace = 2.451789442781727 (5.90063e-09% change)
linmin: converged after 36 iterations.
iteration 1236: trace = 2.451789442737156 (1.81786e-09% change)
large trace change predicted (1.20492e-08%)
linmin: converged after 13 iterations.
iteration 1237: trace = 2.451789442441735 (1.20492e-08% change)
linmin: converged after 4 iterations.
iteration 1238: trace = 2.451789442200093 (9.85575e-09% change)
linmin: converged after 23 iterations.
iteration 1239: trace = 2.451789441987182 (8.6839e-09% change)
linmin: converged after 4 iterations.
iteration 1240: trace = 2.451789441667105 (1.30548e-08% change)
linmin: converged after 7 iterations.
iteration 1241: trace = 2.451789441241778 (1.73476e-08% change)
linmin: converged after 13 iterations.
iteration 1242: trace = 2.451789441091672 (6.12231e-09% change)
large trace change predicted (1.68267e-08%)
linmin: converged after 4 iterations.
iteration 1243: trace = 2.451789440679111 (1.68269e-08% change)
linmin: converged after 4 iterations.
iteration 1244: trace = 2.451789440433159 (1.00315e-08% change)
linmin: converged after 21 iterations.
iteration 1245: trace = 2.451789440332957 (4.0869e-09% change)
large trace change predicted (1.06262e-08%)
linmin: converged after 7 iterations.
iteration 1246: trace = 2.451789440072424 (1.06262e-08% change)
linmin: converged after 4 iterations.
iteration 1247: trace = 2.451789439816958 (1.04196e-08% change)
linmin: converged after 4 iterations.
iteration 1248: trace = 2.451789439638582 (7.27534e-09% change)
linmin: converged after 3 iterations.
iteration 1249: trace = 2.451789439544426 (3.84027e-09% change)
large trace change predicted (1.204e-08%)
linmin: converged after 4 iterations.
iteration 1250: trace = 2.451789439249227 (1.20402e-08% change)
linmin: converged after 15 iterations.
iteration 1251: trace = 2.451789439129806 (4.87078e-09% change)
linmin: converged after 4 iterations.
iteration 1252: trace = 2.451789438969213 (6.55003e-09% change)
linmin: converged after 4 iterations.
iteration 1253: trace = 2.451789438735243 (9.5428e-09% change)
linmin: converged after 2 iterations.
iteration 1254: trace = 2.451789438648958 (3.51929e-09% change)
linmin: converged after 5 iterations.
iteration 1255: trace = 2.4517894385467 (4.17074e-09% change)
large trace change predicted (9.20671e-09%)
linmin: converged after 26 iterations.
iteration 1256: trace = 2.45178943832097 (9.20673e-09% change)
linmin: converged after 3 iterations.
iteration 1257: trace = 2.451789438226698 (3.84503e-09% change)
large trace change predicted (1.40748e-08%)
linmin: converged after 4 iterations.
iteration 1258: trace = 2.451789437881618 (1.40746e-08% change)
large trace change predicted (1.02602e-07%)
linmin: converged after 10 iterations.
iteration 1259: trace = 2.451789435366005 (1.02603e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1260: trace = 2.451789433878098 (6.06866e-08% change)
linmin: converged after 7 iterations.
iteration 1261: trace = 2.451789433256536 (2.53514e-08% change)
linmin: converged after 2 iterations.
iteration 1262: trace = 2.451789433047301 (8.53395e-09% change)
linmin: converged after 6 iterations.
iteration 1263: trace = 2.451789432970581 (3.12916e-09% change)
linmin: converged after 21 iterations.
iteration 1264: trace = 2.451789432843702 (5.17495e-09% change)
linmin: converged after 24 iterations.
iteration 1265: trace = 2.451789432739367 (4.25545e-09% change)
linmin: converged after 22 iterations.
iteration 1266: trace = 2.451789432623807 (4.71331e-09% change)
linmin: converged after 21 iterations.
iteration 1267: trace = 2.451789432576843 (1.91547e-09% change)
large trace change predicted (5.83693e-09%)
linmin: converged after 4 iterations.
iteration 1268: trace = 2.451789432433737 (5.83683e-09% change)
linmin: converged after 4 iterations.
iteration 1269: trace = 2.451789432391423 (1.72583e-09% change)
large trace change predicted (5.45718e-09%)
linmin: converged after 4 iterations.
iteration 1270: trace = 2.451789432257627 (5.45706e-09% change)
linmin: converged after 4 iterations.
iteration 1271: trace = 2.451789432155805 (4.15297e-09% change)
linmin: converged after 4 iterations.
iteration 1272: trace = 2.451789432106585 (2.00752e-09% change)
large trace change predicted (5.58408e-09%)
linmin: converged after 9 iterations.
iteration 1273: trace = 2.451789431969674 (5.58412e-09% change)
linmin: converged after 21 iterations.
iteration 1274: trace = 2.451789431830889 (5.66054e-09% change)
linmin: converged after 4 iterations.
iteration 1275: trace = 2.451789431776769 (2.2074e-09% change)
large trace change predicted (6.62686e-09%)
linmin: converged after 4 iterations.
iteration 1276: trace = 2.451789431614293 (6.62681e-09% change)
linmin: converged after 6 iterations.
iteration 1277: trace = 2.451789431420385 (7.90887e-09% change)
linmin: converged after 24 iterations.
iteration 1278: trace = 2.451789431314295 (4.32702e-09% change)
linmin: converged after 21 iterations.
iteration 1279: trace = 2.451789431150426 (6.68365e-09% change)
linmin: converged after 17 iterations.
iteration 1280: trace = 2.451789431008692 (5.78085e-09% change)
linmin: converged after 21 iterations.
iteration 1281: trace = 2.451789430897196 (4.54754e-09% change)
linmin: converged after 19 iterations.
iteration 1282: trace = 2.451789430809749 (3.56668e-09% change)
linmin: converged after 23 iterations.
iteration 1283: trace = 2.451789430674089 (5.53308e-09% change)
linmin: converged after 7 iterations.
iteration 1284: trace = 2.451789430653522 (8.38843e-10% change)
large trace change predicted (2.42467e-09%)
linmin: converged after 4 iterations.
iteration 1285: trace = 2.451789430594074 (2.42468e-09% change)
linmin: converged after 22 iterations.
iteration 1286: trace = 2.451789430545888 (1.96535e-09% change)
linmin: converged after 4 iterations.
iteration 1287: trace = 2.451789430482413 (2.58893e-09% change)
linmin: converged after 13 iterations.
iteration 1288: trace = 2.451789430463206 (7.83399e-10% change)
large trace change predicted (2.52053e-09%)
linmin: converged after 26 iterations.
iteration 1289: trace = 2.451789430401406 (2.5206e-09% change)
linmin: converged after 4 iterations.
iteration 1290: trace = 2.451789430305257 (3.92158e-09% change)
linmin: converged after 21 iterations.
iteration 1291: trace = 2.451789430266636 (1.5752e-09% change)
large trace change predicted (4.75857e-09%)
linmin: converged after 3 iterations.
iteration 1292: trace = 2.451789430149964 (4.75865e-09% change)
linmin: converged after 27 iterations.
iteration 1293: trace = 2.451789430024553 (5.11509e-09% change)
linmin: converged after 12 iterations.
iteration 1294: trace = 2.451789429962301 (2.53904e-09% change)
linmin: converged after 4 iterations.
iteration 1295: trace = 2.451789429845037 (4.78281e-09% change)
linmin: converged after 3 iterations.
iteration 1296: trace = 2.45178942967521 (6.92665e-09% change)
linmin: converged after 22 iterations.
iteration 1297: trace = 2.451789429603708 (2.91632e-09% change)
large trace change predicted (8.59973e-09%)
linmin: converged after 4 iterations.
iteration 1298: trace = 2.451789429392857 (8.5999e-09% change)
linmin: converged after 31 iterations.
iteration 1299: trace = 2.451789429256205 (5.57356e-09% change)
linmin: converged after 4 iterations.
iteration 1300: trace = 2.451789429222892 (1.35872e-09% change)
linmin: converged after 5 iterations.
iteration 1301: trace = 2.451789429170611 (2.13234e-09% change)
linmin: converged after 4 iterations.
iteration 1302: trace = 2.451789429130043 (1.65465e-09% change)
linmin: converged after 17 iterations.
iteration 1303: trace = 2.451789429119601 (4.25888e-10% change)
large trace change predicted (1.07072e-09%)
linmin: converged after 2 iterations.
iteration 1304: trace = 2.45178942909335 (1.07067e-09% change)
linmin: converged after 3 iterations.
iteration 1305: trace = 2.451789429051677 (1.69973e-09% change)
linmin: converged after 10 iterations.
iteration 1306: trace = 2.451789429038133 (5.52406e-10% change)
large trace change predicted (2.85414e-09%)
linmin: converged after 4 iterations.
iteration 1307: trace = 2.451789428968158 (2.85404e-09% change)
linmin: converged after 4 iterations.
iteration 1308: trace = 2.451789428904058 (2.61439e-09% change)
linmin: converged after 4 iterations.
iteration 1309: trace = 2.451789428839541 (2.63144e-09% change)
linmin: converged after 7 iterations.
iteration 1310: trace = 2.451789428783396 (2.28997e-09% change)
large trace change predicted (6.34187e-09%)
linmin: converged after 21 iterations.
iteration 1311: trace = 2.451789428627906 (6.34187e-09% change)
linmin: converged after 6 iterations.
iteration 1312: trace = 2.451789428579326 (1.98142e-09% change)
linmin: converged after 4 iterations.
iteration 1313: trace = 2.451789428516601 (2.55833e-09% change)
linmin: converged after 4 iterations.
iteration 1314: trace = 2.451789428410657 (4.32111e-09% change)
linmin: converged after 5 iterations.
iteration 1315: trace = 2.451789428382971 (1.12919e-09% change)
large trace change predicted (3.50463e-09%)
linmin: converged after 25 iterations.
iteration 1316: trace = 2.451789428297045 (3.50462e-09% change)
linmin: converged after 16 iterations.
iteration 1317: trace = 2.451789428229989 (2.73497e-09% change)
linmin: converged after 3 iterations.
iteration 1318: trace = 2.451789428206863 (9.43263e-10% change)
linmin: converged after 2 iterations.
iteration 1319: trace = 2.451789428162945 (1.79124e-09% change)
linmin: converged after 21 iterations.
iteration 1320: trace = 2.451789428107597 (2.25748e-09% change)
linmin: converged after 4 iterations.
iteration 1321: trace = 2.451789428079873 (1.13075e-09% change)
linmin: converged after 2 iterations.
iteration 1322: trace = 2.451789428055299 (1.00229e-09% change)
linmin: converged after 6 iterations.
iteration 1323: trace = 2.45178942802734 (1.14033e-09% change)
linmin: converged after 3 iterations.
iteration 1324: trace = 2.451789428007094 (8.25802e-10% change)
linmin: converged after 4 iterations.
iteration 1325: trace = 2.451789427995403 (4.76821e-10% change)
large trace change predicted (1.59393e-09%)
linmin: converged after 9 iterations.
iteration 1326: trace = 2.451789427956322 (1.59397e-09% change)
linmin: converged after 3 iterations.
iteration 1327: trace = 2.451789427914213 (1.71748e-09% change)
linmin: converged after 7 iterations.
iteration 1328: trace = 2.451789427885572 (1.16819e-09% change)
linmin: converged after 2 iterations.
iteration 1329: trace = 2.451789427860202 (1.03473e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1330: trace = 2.451789427837171 (9.39369e-10% change)
linmin: converged after 5 iterations.
iteration 1331: trace = 2.451789427813297 (9.73747e-10% change)
linmin: converged after 4 iterations.
iteration 1332: trace = 2.451789427779709 (1.36991e-09% change)
linmin: converged after 6 iterations.
iteration 1333: trace = 2.451789427758982 (8.45382e-10% change)
linmin: converged after 5 iterations.
iteration 1334: trace = 2.451789427739425 (7.9769e-10% change)
linmin: converged after 18 iterations.
iteration 1335: trace = 2.451789427713917 (1.04038e-09% change)
linmin: converged after 16 iterations.
iteration 1336: trace = 2.451789427699441 (5.90425e-10% change)
linmin: converged after 20 iterations.
iteration 1337: trace = 2.45178942767709 (9.11602e-10% change)
linmin: converged after 4 iterations.
iteration 1338: trace = 2.45178942763282 (1.80562e-09% change)
linmin: converged after 4 iterations.
iteration 1339: trace = 2.451789427621961 (4.42896e-10% change)
large trace change predicted (1.8204e-09%)
linmin: converged after 7 iterations.
iteration 1340: trace = 2.451789427577328 (1.82041e-09% change)
linmin: converged after 4 iterations.
iteration 1341: trace = 2.451789427541467 (1.46267e-09% change)
linmin: converged after 11 iterations.
iteration 1342: trace = 2.451789427520964 (8.36253e-10% change)
large trace change predicted (1.73539e-09%)
linmin: converged after 30 iterations.
iteration 1343: trace = 2.451789427478416 (1.73539e-09% change)
linmin: converged after 4 iterations.
iteration 1344: trace = 2.451789427413101 (2.66395e-09% change)
linmin: converged after 16 iterations.
iteration 1345: trace = 2.45178942739219 (8.52898e-10% change)
large trace change predicted (3.48547e-09%)
linmin: converged after 21 iterations.
iteration 1346: trace = 2.451789427306734 (3.48544e-09% change)
linmin: converged after 18 iterations.
iteration 1347: trace = 2.451789427233634 (2.9815e-09% change)
linmin: converged after 8 iterations.
iteration 1348: trace = 2.451789427203547 (1.22716e-09% change)
large trace change predicted (4.76998e-09%)
linmin: converged after 8 iterations.
iteration 1349: trace = 2.451789427086593 (4.77013e-09% change)
linmin: converged after 3 iterations.
iteration 1350: trace = 2.451789427029377 (2.33366e-09% change)
linmin: converged after 4 iterations.
iteration 1351: trace = 2.451789426949519 (3.25711e-09% change)
linmin: converged after 11 iterations.
iteration 1352: trace = 2.451789426938215 (4.61063e-10% change)
large trace change predicted (1.99861e-09%)
linmin: converged after 20 iterations.
iteration 1353: trace = 2.451789426889213 (1.99863e-09% change)
linmin: converged after 4 iterations.
iteration 1354: trace = 2.451789426874615 (5.95406e-10% change)
linmin: converged after 4 iterations.
iteration 1355: trace = 2.451789426861922 (5.17684e-10% change)
linmin: converged after 4 iterations.
iteration 1356: trace = 2.451789426839075 (9.3187e-10% change)
linmin: converged after 9 iterations.
iteration 1357: trace = 2.451789426822449 (6.78109e-10% change)
linmin: converged after 2 iterations.
iteration 1358: trace = 2.451789426800897 (8.79035e-10% change)
large trace change predicted (1.82979e-09%)
linmin: converged after 16 iterations.
iteration 1359: trace = 2.451789426756036 (1.82972e-09% change)
linmin: converged after 22 iterations.
iteration 1360: trace = 2.451789426687717 (2.78648e-09% change)
linmin: converged after 20 iterations.
iteration 1361: trace = 2.451789426665331 (9.13033e-10% change)
large trace change predicted (3.55266e-09%)
linmin: converged after 4 iterations.
iteration 1362: trace = 2.451789426578227 (3.55269e-09% change)
linmin: converged after 16 iterations.
iteration 1363: trace = 2.451789426483567 (3.86085e-09% change)
linmin: converged after 7 iterations.
iteration 1364: trace = 2.451789426448853 (1.41586e-09% change)
linmin: converged after 18 iterations.
iteration 1365: trace = 2.451789426396778 (2.12395e-09% change)
large trace change predicted (4.86206e-09%)
linmin: converged after 4 iterations.
iteration 1366: trace = 2.451789426277574 (4.86193e-09% change)
linmin: converged after 4 iterations.
iteration 1367: trace = 2.45178942617991 (3.98336e-09% change)
linmin: converged after 13 iterations.
iteration 1368: trace = 2.451789426157195 (9.26473e-10% change)
large trace change predicted (2.34013e-09%)
linmin: converged after 21 iterations.
iteration 1369: trace = 2.451789426099818 (2.3402e-09% change)
linmin: converged after 3 iterations.
iteration 1370: trace = 2.45178942606264 (1.51637e-09% change)
linmin: converged after 8 iterations.
iteration 1371: trace = 2.451789426053544 (3.70988e-10% change)
large trace change predicted (8.90213e-10%)
linmin: converged after 3 iterations.
iteration 1372: trace = 2.451789426031716 (8.90283e-10% change)
linmin: converged after 4 iterations.
iteration 1373: trace = 2.451789426013754 (7.32629e-10% change)
linmin: converged after 4 iterations.
iteration 1374: trace = 2.451789426007426 (2.5809e-10% change)
large trace change predicted (1.31908e-09%)
linmin: converged after 4 iterations.
iteration 1375: trace = 2.451789425975084 (1.31911e-09% change)
linmin: converged after 22 iterations.
iteration 1376: trace = 2.451789425925529 (2.02118e-09% change)
linmin: converged after 4 iterations.
iteration 1377: trace = 2.451789425903246 (9.08867e-10% change)
large trace change predicted (2.20418e-09%)
linmin: converged after 6 iterations.
iteration 1378: trace = 2.451789425849205 (2.20415e-09% change)
linmin: converged after 2 iterations.
iteration 1379: trace = 2.451789425776035 (2.98435e-09% change)
linmin: converged after 4 iterations.
iteration 1380: trace = 2.45178942575533 (8.44476e-10% change)
large trace change predicted (4.19777e-09%)
linmin: converged after 5 iterations.
iteration 1381: trace = 2.451789425652413 (4.19762e-09% change)
linmin: converged after 4 iterations.
iteration 1382: trace = 2.451789425595878 (2.30586e-09% change)
linmin: converged after 11 iterations.
iteration 1383: trace = 2.451789425563314 (1.3282e-09% change)
linmin: converged after 8 iterations.
iteration 1384: trace = 2.451789425505613 (2.35342e-09% change)
linmin: converged after 4 iterations.
iteration 1385: trace = 2.451789425453373 (2.13069e-09% change)
linmin: converged after 6 iterations.
iteration 1386: trace = 2.451789425436828 (6.74795e-10% change)
large trace change predicted (2.05032e-09%)
linmin: converged after 18 iterations.
iteration 1387: trace = 2.451789425386556 (2.05045e-09% change)
linmin: converged after 4 iterations.
iteration 1388: trace = 2.451789425349372 (1.51657e-09% change)
linmin: converged after 15 iterations.
iteration 1389: trace = 2.451789425332057 (7.06239e-10% change)
large trace change predicted (2.23419e-09%)
linmin: converged after 6 iterations.
iteration 1390: trace = 2.451789425277283 (2.23404e-09% change)
linmin: converged after 15 iterations.
iteration 1391: trace = 2.451789425231565 (1.86466e-09% change)
linmin: converged after 2 iterations.
iteration 1392: trace = 2.451789425218463 (5.34384e-10% change)
large trace change predicted (1.21945e-09%)
linmin: converged after 9 iterations.
iteration 1393: trace = 2.451789425188565 (1.21945e-09% change)
linmin: converged after 3 iterations.
iteration 1394: trace = 2.451789425157625 (1.26192e-09% change)
linmin: converged after 13 iterations.
iteration 1395: trace = 2.451789425138586 (7.76535e-10% change)
large trace change predicted (1.64594e-09%)
linmin: converged after 4 iterations.
iteration 1396: trace = 2.451789425098232 (1.64592e-09% change)
linmin: converged after 20 iterations.
iteration 1397: trace = 2.451789425038035 (2.45523e-09% change)
linmin: converged after 26 iterations.
iteration 1398: trace = 2.45178942495501 (3.38631e-09% change)
large trace change predicted (1.41341e-08%)
linmin: converged after 28 iterations.
iteration 1399: trace = 2.451789424608471 (1.41341e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1400: trace = 2.451789424330125 (1.13528e-08% change)
linmin: converged after 2 iterations.
iteration 1401: trace = 2.451789424273012 (2.32944e-09% change)
linmin: converged after 18 iterations.
iteration 1402: trace = 2.45178942422672 (1.88812e-09% change)
linmin: converged after 3 iterations.
iteration 1403: trace = 2.451789424185634 (1.67575e-09% change)
linmin: converged after 18 iterations.
iteration 1404: trace = 2.451789424171285 (5.85245e-10% change)
linmin: converged after 13 iterations.
iteration 1405: trace = 2.451789424147403 (9.74073e-10% change)
linmin: converged after 8 iterations.
iteration 1406: trace = 2.451789424122435 (1.01836e-09% change)
linmin: converged after 4 iterations.
iteration 1407: trace = 2.451789424114636 (3.18098e-10% change)
large trace change predicted (1.24764e-09%)
linmin: converged after 4 iterations.
iteration 1408: trace = 2.451789424084049 (1.24751e-09% change)
linmin: converged after 6 iterations.
iteration 1409: trace = 2.451789424059581 (9.98001e-10% change)
linmin: converged after 4 iterations.
iteration 1410: trace = 2.451789424047643 (4.86892e-10% change)
linmin: converged after 7 iterations.
iteration 1411: trace = 2.451789424031571 (6.55504e-10% change)
linmin: converged after 19 iterations.
iteration 1412: trace = 2.451789424001313 (1.23416e-09% change)
linmin: converged after 10 iterations.
iteration 1413: trace = 2.451789423991946 (3.82018e-10% change)
large trace change predicted (1.3122e-09%)
linmin: converged after 4 iterations.
iteration 1414: trace = 2.451789423959771 (1.31231e-09% change)
linmin: converged after 4 iterations.
iteration 1415: trace = 2.451789423924466 (1.43999e-09% change)
linmin: converged after 15 iterations.
iteration 1416: trace = 2.45178942391048 (5.70428e-10% change)
large trace change predicted (1.56491e-09%)
linmin: converged after 5 iterations.
iteration 1417: trace = 2.451789423872111 (1.56495e-09% change)
linmin: converged after 4 iterations.
iteration 1418: trace = 2.451789423828485 (1.77934e-09% change)
linmin: converged after 20 iterations.
iteration 1419: trace = 2.451789423814215 (5.82039e-10% change)
linmin: converged after 21 iterations.
iteration 1420: trace = 2.451789423792063 (9.03506e-10% change)
linmin: converged after 4 iterations.
iteration 1421: trace = 2.451789423752354 (1.61956e-09% change)
linmin: converged after 4 iterations.
iteration 1422: trace = 2.451789423742226 (4.131e-10% change)
large trace change predicted (1.0001e-09%)
linmin: converged after 19 iterations.
iteration 1423: trace = 2.451789423717707 (1.00005e-09% change)
linmin: converged after 8 iterations.
iteration 1424: trace = 2.451789423706942 (4.39074e-10% change)
linmin: converged after 17 iterations.
iteration 1425: trace = 2.451789423700462 (2.64285e-10% change)
linmin: converged after 18 iterations.
iteration 1426: trace = 2.451789423689513 (4.46554e-10% change)
linmin: converged after 13 iterations.
iteration 1427: trace = 2.451789423673482 (6.53856e-10% change)
linmin: converged after 6 iterations.
iteration 1428: trace = 2.451789423669334 (1.6921e-10% change)
large trace change predicted (4.72408e-10%)
linmin: converged after 4 iterations.
iteration 1429: trace = 2.451789423657752 (4.72383e-10% change)
linmin: converged after 5 iterations.
iteration 1430: trace = 2.451789423642428 (6.24984e-10% change)
linmin: converged after 10 iterations.
iteration 1431: trace = 2.451789423630924 (4.69232e-10% change)
linmin: converged after 14 iterations.
iteration 1432: trace = 2.451789423615611 (6.2455e-10% change)
linmin: converged after 2 iterations.
iteration 1433: trace = 2.451789423588781 (1.09432e-09% change)
linmin: converged after 4 iterations.
iteration 1434: trace = 2.451789423564947 (9.72099e-10% change)
linmin: converged after 6 iterations.
iteration 1435: trace = 2.451789423526965 (1.54914e-09% change)
linmin: converged after 17 iterations.
iteration 1436: trace = 2.451789423512263 (5.99644e-10% change)
large trace change predicted (2.27356e-09%)
linmin: converged after 5 iterations.
iteration 1437: trace = 2.451789423456522 (2.27349e-09% change)
linmin: converged after 4 iterations.
iteration 1438: trace = 2.451789423435572 (8.54492e-10% change)
linmin: converged after 23 iterations.
iteration 1439: trace = 2.451789423416287 (7.86551e-10% change)
linmin: converged after 11 iterations.
iteration 1440: trace = 2.451789423403261 (5.31305e-10% change)
linmin: converged after 6 iterations.
iteration 1441: trace = 2.451789423395268 (3.25977e-10% change)
linmin: converged after 3 iterations.
iteration 1442: trace = 2.451789423391876 (1.38364e-10% change)
linmin: converged after 6 iterations.
iteration 1443: trace = 2.45178942338634 (2.25777e-10% change)
linmin: converged after 2 iterations.
iteration 1444: trace = 2.45178942338033 (2.45139e-10% change)
linmin: converged after 3 iterations.
iteration 1445: trace = 2.451789423375478 (1.97901e-10% change)
large trace change predicted (6.00098e-10%)
linmin: converged after 14 iterations.
iteration 1446: trace = 2.451789423360763 (6.0017e-10% change)
linmin: converged after 3 iterations.
iteration 1447: trace = 2.45178942335683 (1.60426e-10% change)
large trace change predicted (4.48501e-10%)
linmin: converged after 15 iterations.
iteration 1448: trace = 2.451789423345835 (4.4842e-10% change)
linmin: converged after 6 iterations.
iteration 1449: trace = 2.45178942332878 (6.95643e-10% change)
linmin: converged after 9 iterations.
iteration 1450: trace = 2.451789423320378 (3.42677e-10% change)
large trace change predicted (1.0177e-09%)
linmin: converged after 4 iterations.
iteration 1451: trace = 2.45178942329543 (1.01754e-09% change)
linmin: converged after 3 iterations.
iteration 1452: trace = 2.451789423276987 (7.52245e-10% change)
linmin: converged after 4 iterations.
iteration 1453: trace = 2.451789423268175 (3.59414e-10% change)
large trace change predicted (8.42111e-10%)
linmin: converged after 9 iterations.
iteration 1454: trace = 2.451789423247528 (8.42103e-10% change)
linmin: converged after 16 iterations.
iteration 1455: trace = 2.451789423223894 (9.6393e-10% change)
linmin: converged after 12 iterations.
iteration 1456: trace = 2.451789423208913 (6.11037e-10% change)
linmin: converged after 8 iterations.
iteration 1457: trace = 2.451789423202641 (2.55826e-10% change)
linmin: converged after 10 iterations.
iteration 1458: trace = 2.451789423192569 (4.108e-10% change)
linmin: converged after 7 iterations.
iteration 1459: trace = 2.451789423181072 (4.68924e-10% change)
linmin: converged after 15 iterations.
iteration 1460: trace = 2.451789423178502 (1.04801e-10% change)
large trace change predicted (3.50148e-10%)
linmin: converged after 6 iterations.
iteration 1461: trace = 2.451789423169914 (3.50267e-10% change)
linmin: converged after 16 iterations.
iteration 1462: trace = 2.451789423164941 (2.02846e-10% change)
linmin: converged after 17 iterations.
iteration 1463: trace = 2.451789423162954 (8.10551e-11% change)
Finished solving for bands 1 to 10 after 1463 iterations.
tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287
elapsed time for k point: 43.23119640350342
solve_kpoint (0.5,0,0):
Solving for bands 1 to 10...
linmin: converged after 4 iterations.
iteration 1: trace = 2.528836223782001 (1.93408% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.510710721454537 (0.719331% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.494945406997686 (0.6299% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.491433574138305 (0.140857% change)
large trace change predicted (0.375525%)
linmin: converged after 10 iterations.
iteration 5: trace = 2.481386186433904 (0.404092% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.478821681916148 (0.103403% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.475784112846906 (0.122616% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.473421556558818 (0.0954721% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.47247156210758 (0.0384155% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.471069106423442 (0.0567389% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.470689347126524 (0.0153694% change)
large trace change predicted (0.0415687%)
linmin: converged after 4 iterations.
iteration 12: trace = 2.469653327122731 (0.0419412% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.469044099555911 (0.0246716% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.468577470692296 (0.018901% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.467728690942992 (0.0343893% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.46745300556574 (0.0111722% change)
large trace change predicted (0.040824%)
linmin: converged after 4 iterations.
iteration 17: trace = 2.466432221684716 (0.0413785% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.466143780684861 (0.0116953% change)
linmin: converged after 3 iterations.
iteration 19: trace = 2.465689795665475 (0.0184104% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.465064631640342 (0.0253577% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.464844089931834 (0.00894709% change)
large trace change predicted (0.0298112%)
linmin: converged after 5 iterations.
iteration 22: trace = 2.464107085009973 (0.0299051% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.463924808079277 (0.00739755% change)
large trace change predicted (0.0205069%)
linmin: converged after 3 iterations.
iteration 24: trace = 2.463417662980171 (0.0205849% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.462917884177778 (0.0202901% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.462692763668878 (0.00914082% change)
large trace change predicted (0.0279878%)
linmin: converged after 4 iterations.
iteration 27: trace = 2.4620093727337 (0.0277536% change)
linmin: converged after 4 iterations.
iteration 28: trace = 2.461750403472557 (0.0105192% change)
large trace change predicted (0.0224547%)
linmin: converged after 4 iterations.
iteration 29: trace = 2.461203412627468 (0.0222221% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.460687193110629 (0.0209765% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.460471923393098 (0.00874874% change)
large trace change predicted (0.0259481%)
linmin: converged after 4 iterations.
iteration 32: trace = 2.459844983792497 (0.0254837% change)
linmin: converged after 4 iterations.
iteration 33: trace = 2.459427602421306 (0.0169692% change)
linmin: converged after 4 iterations.
iteration 34: trace = 2.459157446319106 (0.0109851% change)
large trace change predicted (0.0241643%)
linmin: converged after 5 iterations.
iteration 35: trace = 2.458586737331902 (0.0232102% change)
linmin: converged after 4 iterations.
iteration 36: trace = 2.458222225323346 (0.0148272% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.457860085379453 (0.0147329% change)
linmin: converged after 5 iterations.
iteration 38: trace = 2.457513773299919 (0.014091% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.457345537405587 (0.00684601% change)
linmin: converged after 6 iterations.
iteration 40: trace = 2.45703034207314 (0.0128275% change)
linmin: converged after 4 iterations.
iteration 41: trace = 2.456937176544063 (0.00379187% change)
linmin: converged after 4 iterations.
iteration 42: trace = 2.456770809803269 (0.00677154% change)
linmin: converged after 4 iterations.
iteration 43: trace = 2.456644867623719 (0.00512646% change)
linmin: converged after 4 iterations.
iteration 44: trace = 2.456574907473046 (0.00284783% change)
large trace change predicted (0.00678889%)
linmin: converged after 4 iterations.
iteration 45: trace = 2.45640989898521 (0.00671724% change)
linmin: converged after 4 iterations.
iteration 46: trace = 2.456322333503604 (0.00356484% change)
linmin: converged after 4 iterations.
iteration 47: trace = 2.456238010855364 (0.00343294% change)
linmin: converged after 5 iterations.
iteration 48: trace = 2.456190495724837 (0.00193449% change)
large trace change predicted (0.00555259%)
linmin: converged after 4 iterations.
iteration 49: trace = 2.456054376501079 (0.00554204% change)
linmin: converged after 10 iterations.
iteration 50: trace = 2.456008476736466 (0.00186886% change)
large trace change predicted (0.00438779%)
linmin: converged after 3 iterations.
iteration 51: trace = 2.455900532670498 (0.0043952% change)
linmin: converged after 4 iterations.
iteration 52: trace = 2.455832272134057 (0.00277949% change)
linmin: converged after 3 iterations.
iteration 53: trace = 2.455712405685762 (0.00488101% change)
linmin: converged after 3 iterations.
iteration 54: trace = 2.455665064720349 (0.00192781% change)
large trace change predicted (0.00469267%)
linmin: converged after 3 iterations.
iteration 55: trace = 2.455549299739854 (0.00471431% change)
linmin: converged after 8 iterations.
iteration 56: trace = 2.455472788491667 (0.0031159% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.45535529713201 (0.00478499% change)
linmin: converged after 3 iterations.
iteration 58: trace = 2.455240382596921 (0.00468027% change)
linmin: converged after 3 iterations.
iteration 59: trace = 2.455056695397887 (0.00748171% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.454878903542058 (0.00724213% change)
linmin: converged after 3 iterations.
iteration 61: trace = 2.454746685563653 (0.00538607% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.454558719119076 (0.00765756% change)
linmin: converged after 5 iterations.
iteration 63: trace = 2.454456214757973 (0.00417617% change)
large trace change predicted (0.0093065%)
linmin: converged after 4 iterations.
iteration 64: trace = 2.454226050106184 (0.00937786% change)
linmin: converged after 3 iterations.
iteration 65: trace = 2.454124993638424 (0.00411774% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.453937947114079 (0.00762201% change)
linmin: converged after 5 iterations.
iteration 67: trace = 2.453808924524141 (0.00525792% change)
linmin: converged after 5 iterations.
iteration 68: trace = 2.453622752439474 (0.00758735% change)
linmin: converged after 8 iterations.
iteration 69: trace = 2.453502290651681 (0.00490967% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.453443032160796 (0.00241529% change)
large trace change predicted (0.00624621%)
linmin: converged after 10 iterations.
iteration 71: trace = 2.453289852552315 (0.00624365% change)
linmin: converged after 4 iterations.
iteration 72: trace = 2.453139627224052 (0.00612361% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.453047589137037 (0.00375192% change)
large trace change predicted (0.00966943%)
linmin: converged after 4 iterations.
iteration 74: trace = 2.452811120127543 (0.00964027% change)
linmin: converged after 4 iterations.
iteration 75: trace = 2.452613550181715 (0.00805516% change)
linmin: converged after 12 iterations.
iteration 76: trace = 2.452556513243382 (0.00232558% change)
large trace change predicted (0.00551969%)
linmin: converged after 4 iterations.
iteration 77: trace = 2.452421751157438 (0.00549491% change)
linmin: converged after 4 iterations.
iteration 78: trace = 2.452338171908109 (0.00340809% change)
linmin: converged after 3 iterations.
iteration 79: trace = 2.452304528611742 (0.0013719% change)
large trace change predicted (0.00452318%)
linmin: converged after 7 iterations.
iteration 80: trace = 2.452193711038556 (0.00451902% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.45208375148069 (0.00448423% change)
linmin: converged after 5 iterations.
iteration 82: trace = 2.452050074217855 (0.00137342% change)
large trace change predicted (0.00426051%)
linmin: converged after 3 iterations.
iteration 83: trace = 2.451945262619128 (0.00427454% change)
linmin: converged after 3 iterations.
iteration 84: trace = 2.451876310389238 (0.00281218% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.451838832456642 (0.00152855% change)
large trace change predicted (0.00517283%)
linmin: converged after 3 iterations.
iteration 86: trace = 2.451711427988326 (0.00519642% change)
linmin: converged after 3 iterations.
iteration 87: trace = 2.451670646216947 (0.00166341% change)
linmin: converged after 3 iterations.
iteration 88: trace = 2.451615519044859 (0.00224858% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.451565621590008 (0.00203531% change)
linmin: converged after 3 iterations.
iteration 90: trace = 2.451543027522145 (0.000921622% change)
large trace change predicted (0.00192522%)
linmin: converged after 3 iterations.
iteration 91: trace = 2.451495728261631 (0.00192939% change)
linmin: converged after 3 iterations.
iteration 92: trace = 2.451437605040677 (0.00237096% change)
linmin: converged after 4 iterations.
iteration 93: trace = 2.451416673918753 (0.000853834% change)
linmin: converged after 3 iterations.
iteration 94: trace = 2.451379894691538 (0.00150034% change)
linmin: converged after 3 iterations.
iteration 95: trace = 2.451331042382565 (0.00199287% change)
linmin: converged after 4 iterations.
iteration 96: trace = 2.451320221847723 (0.000441416% change)
large trace change predicted (0.00157851%)
linmin: converged after 4 iterations.
iteration 97: trace = 2.451281413782899 (0.00158316% change)
linmin: converged after 3 iterations.
iteration 98: trace = 2.451252091299369 (0.00119622% change)
linmin: converged after 3 iterations.
iteration 99: trace = 2.451242581911746 (0.000387941% change)
large trace change predicted (0.00130295%)
linmin: converged after 3 iterations.
iteration 100: trace = 2.451210624800765 (0.00130372% change)
linmin: converged after 3 iterations.
iteration 101: trace = 2.451185412647113 (0.00102856% change)
linmin: converged after 3 iterations.
iteration 102: trace = 2.451169674858531 (0.00064205% change)
large trace change predicted (0.00233933%)
linmin: converged after 5 iterations.
iteration 103: trace = 2.451112375676283 (0.00233765% change)
linmin: converged after 5 iterations.
iteration 104: trace = 2.451069764357206 (0.00173846% change)
linmin: converged after 3 iterations.
iteration 105: trace = 2.451014350329364 (0.00226084% change)
linmin: converged after 4 iterations.
iteration 106: trace = 2.450936365136954 (0.0031818% change)
linmin: converged after 3 iterations.
iteration 107: trace = 2.450891633901529 (0.00182508% change)
linmin: converged after 4 iterations.
iteration 108: trace = 2.450830588419405 (0.00249078% change)
linmin: converged after 4 iterations.
iteration 109: trace = 2.450789777787804 (0.00166519% change)
linmin: converged after 4 iterations.
iteration 110: trace = 2.450776845576188 (0.000527677% change)
large trace change predicted (0.0011851%)
linmin: converged after 3 iterations.
iteration 111: trace = 2.450747795704801 (0.00118534% change)
linmin: converged after 3 iterations.
iteration 112: trace = 2.45070867046777 (0.00159647% change)
linmin: converged after 4 iterations.
iteration 113: trace = 2.450695835826789 (0.000523713% change)
large trace change predicted (0.00227204%)
linmin: converged after 3 iterations.
iteration 114: trace = 2.450640084149246 (0.00227496% change)
linmin: converged after 3 iterations.
iteration 115: trace = 2.450616935395414 (0.000944605% change)
linmin: converged after 9 iterations.
iteration 116: trace = 2.45059690168018 (0.0008175% change)
linmin: converged after 4 iterations.
iteration 117: trace = 2.450567708239303 (0.00119129% change)
linmin: converged after 10 iterations.
iteration 118: trace = 2.450560050181016 (0.000312502% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.450544723924295 (0.00062542% change)
linmin: converged after 3 iterations.
iteration 120: trace = 2.450518156850831 (0.00108414% change)
linmin: converged after 3 iterations.
iteration 121: trace = 2.450508153452435 (0.000408216% change)
large trace change predicted (0.00138829%)
linmin: converged after 7 iterations.
iteration 122: trace = 2.450474160996835 (0.00138717% change)
linmin: converged after 5 iterations.
iteration 123: trace = 2.450413549363673 (0.0024735% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.450399865463202 (0.000558434% change)
large trace change predicted (0.00263932%)
linmin: converged after 5 iterations.
iteration 125: trace = 2.450335324898945 (0.00263391% change)
linmin: converged after 5 iterations.
iteration 126: trace = 2.450316241452061 (0.000778813% change)
large trace change predicted (0.00253213%)
linmin: converged after 4 iterations.
iteration 127: trace = 2.45025425553424 (0.00252974% change)
linmin: converged after 5 iterations.
iteration 128: trace = 2.450208223330985 (0.00187869% change)
linmin: converged after 6 iterations.
iteration 129: trace = 2.450190012010325 (0.000743259% change)
large trace change predicted (0.00218248%)
linmin: converged after 6 iterations.
iteration 130: trace = 2.450136625348235 (0.0021789% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.45007660677115 (0.00244963% change)
linmin: converged after 5 iterations.
iteration 132: trace = 2.450058966325326 (0.000719998% change)
linmin: converged after 3 iterations.
iteration 133: trace = 2.450024373740196 (0.00141192% change)
linmin: converged after 7 iterations.
iteration 134: trace = 2.449978667631108 (0.00186555% change)
linmin: converged after 5 iterations.
iteration 135: trace = 2.449968895169002 (0.00039888% change)
large trace change predicted (0.00120772%)
linmin: converged after 3 iterations.
iteration 136: trace = 2.449939300285809 (0.00120798% change)
linmin: converged after 5 iterations.
iteration 137: trace = 2.449919722834263 (0.000799103% change)
linmin: converged after 4 iterations.
iteration 138: trace = 2.449912947473968 (0.000276555% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.449900616488089 (0.000503325% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.449894928085868 (0.000232189% change)
linmin: converged after 3 iterations.
iteration 141: trace = 2.449892297164892 (0.000107389% change)
large trace change predicted (0.000347819%)
linmin: converged after 3 iterations.
iteration 142: trace = 2.449883775175338 (0.000347852% change)
linmin: converged after 3 iterations.
iteration 143: trace = 2.449876756247481 (0.000286501% change)
linmin: converged after 3 iterations.
iteration 144: trace = 2.449872120281262 (0.000189233% change)
large trace change predicted (0.000699813%)
linmin: converged after 3 iterations.
iteration 145: trace = 2.449854947385739 (0.000700974% change)
linmin: converged after 3 iterations.
iteration 146: trace = 2.449848346406646 (0.000269444% change)
linmin: converged after 3 iterations.
iteration 147: trace = 2.449839794164459 (0.000349093% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.44982675320189 (0.00053232% change)
linmin: converged after 3 iterations.
iteration 149: trace = 2.44982009809765 (0.000271656% change)
linmin: converged after 5 iterations.
iteration 150: trace = 2.449813599191857 (0.000265281% change)
linmin: converged after 3 iterations.
iteration 151: trace = 2.449804672061759 (0.000364401% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.449797710245926 (0.000284179% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.449789793231324 (0.000323171% change)
linmin: converged after 3 iterations.
iteration 154: trace = 2.449775125541931 (0.000598734% change)
linmin: converged after 3 iterations.
iteration 155: trace = 2.449771197568826 (0.00016034% change)
large trace change predicted (0.00043704%)
linmin: converged after 3 iterations.
iteration 156: trace = 2.449760491406805 (0.000437028% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.449754538208532 (0.000243012% change)
linmin: converged after 4 iterations.
iteration 158: trace = 2.44975190290616 (0.000107574% change)
linmin: converged after 3 iterations.
iteration 159: trace = 2.449747997430265 (0.000159423% change)
linmin: converged after 3 iterations.
iteration 160: trace = 2.449743927761397 (0.000166126% change)
linmin: converged after 8 iterations.
iteration 161: trace = 2.449742718999893 (4.93424e-05% change)
large trace change predicted (0.000191012%)
linmin: converged after 3 iterations.
iteration 162: trace = 2.449738039373347 (0.000191025% change)
linmin: converged after 3 iterations.
iteration 163: trace = 2.44973159509182 (0.00026306% change)
linmin: converged after 3 iterations.
iteration 164: trace = 2.449729576492104 (8.24009e-05% change)
large trace change predicted (0.000358109%)
linmin: converged after 3 iterations.
iteration 165: trace = 2.449720797798945 (0.000358354% change)
linmin: converged after 3 iterations.
iteration 166: trace = 2.449714042868065 (0.000275743% change)
linmin: converged after 3 iterations.
iteration 167: trace = 2.449711750524444 (9.3576e-05% change)
large trace change predicted (0.000277937%)
linmin: converged after 3 iterations.
iteration 168: trace = 2.44970493912474 (0.000278049% change)
linmin: converged after 3 iterations.
iteration 169: trace = 2.449697452299737 (0.000305622% change)
linmin: converged after 4 iterations.
iteration 170: trace = 2.449695298508223 (8.79208e-05% change)
large trace change predicted (0.000350526%)
linmin: converged after 5 iterations.
iteration 171: trace = 2.44968670212081 (0.000350917% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.449677776996352 (0.000364338% change)
linmin: converged after 4 iterations.
iteration 173: trace = 2.449674469734727 (0.000135008% change)
large trace change predicted (0.000279896%)
linmin: converged after 4 iterations.
iteration 174: trace = 2.44966760675598 (0.000280159% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.449659910863249 (0.000314161% change)
linmin: converged after 3 iterations.
iteration 176: trace = 2.449657742566564 (8.85142e-05% change)
large trace change predicted (0.000235374%)
linmin: converged after 4 iterations.
iteration 177: trace = 2.449651976958328 (0.000235364% change)
linmin: converged after 5 iterations.
iteration 178: trace = 2.449647863086536 (0.000167937% change)
linmin: converged after 3 iterations.
iteration 179: trace = 2.449645899921092 (8.01408e-05% change)
large trace change predicted (0.000191846%)
linmin: converged after 3 iterations.
iteration 180: trace = 2.449641202496829 (0.00019176% change)
linmin: converged after 4 iterations.
iteration 181: trace = 2.449636735161266 (0.000182367% change)
linmin: converged after 3 iterations.
iteration 182: trace = 2.449634470661315 (9.24423e-05% change)
large trace change predicted (0.000270107%)
linmin: converged after 5 iterations.
iteration 183: trace = 2.449627871274931 (0.000269403% change)
linmin: converged after 4 iterations.
iteration 184: trace = 2.449623554131188 (0.000176237% change)
linmin: converged after 4 iterations.
iteration 185: trace = 2.449620056907789 (0.000142766% change)
large trace change predicted (0.000335748%)
linmin: converged after 4 iterations.
iteration 186: trace = 2.449611849363315 (0.000335054% change)
linmin: converged after 4 iterations.
iteration 187: trace = 2.449608040109787 (0.000155504% change)
linmin: converged after 3 iterations.
iteration 188: trace = 2.449605467155713 (0.000105035% change)
large trace change predicted (0.000303699%)
linmin: converged after 4 iterations.
iteration 189: trace = 2.449598032848582 (0.00030349% change)
linmin: converged after 4 iterations.
iteration 190: trace = 2.449593219874764 (0.00019648% change)
linmin: converged after 4 iterations.
iteration 191: trace = 2.449588354301449 (0.000198628% change)
large trace change predicted (0.000570807%)
linmin: converged after 4 iterations.
iteration 192: trace = 2.449574368305194 (0.000570955% change)
linmin: converged after 3 iterations.
iteration 193: trace = 2.449571037661758 (0.000135968% change)
large trace change predicted (0.000443751%)
linmin: converged after 3 iterations.
iteration 194: trace = 2.449560154441408 (0.000444292% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.449553072147829 (0.000289126% change)
linmin: converged after 4 iterations.
iteration 196: trace = 2.449550235492469 (0.000115803% change)
linmin: converged after 5 iterations.
iteration 197: trace = 2.4495459453966 (0.000175138% change)
linmin: converged after 3 iterations.
iteration 198: trace = 2.449540040244491 (0.000241072% change)
linmin: converged after 4 iterations.
iteration 199: trace = 2.449538438544594 (6.53878e-05% change)
large trace change predicted (0.000254687%)
linmin: converged after 3 iterations.
iteration 200: trace = 2.449532193103362 (0.000254964% change)
linmin: converged after 3 iterations.
iteration 201: trace = 2.449527758252526 (0.000181049% change)
linmin: converged after 4 iterations.
iteration 202: trace = 2.449524350155484 (0.000139133% change)
large trace change predicted (0.000355804%)
linmin: converged after 3 iterations.
iteration 203: trace = 2.449515628717529 (0.000356047% change)
linmin: converged after 3 iterations.
iteration 204: trace = 2.44950434102122 (0.000460814% change)
linmin: converged after 5 iterations.
iteration 205: trace = 2.449499987722562 (0.000177722% change)
linmin: converged after 4 iterations.
iteration 206: trace = 2.449492604326722 (0.000301425% change)
linmin: converged after 4 iterations.
iteration 207: trace = 2.44948359743051 (0.000367705% change)
linmin: converged after 4 iterations.
iteration 208: trace = 2.449477982953384 (0.000229211% change)
large trace change predicted (0.000702352%)
linmin: converged after 12 iterations.
iteration 209: trace = 2.449460783306508 (0.000702178% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 2.449456833401014 (0.000161256% change)
linmin: converged after 3 iterations.
iteration 211: trace = 2.44945356137018 (0.000133582% change)
linmin: converged after 3 iterations.
iteration 212: trace = 2.449447706901437 (0.000239012% change)
linmin: converged after 3 iterations.
iteration 213: trace = 2.449445022868559 (0.000109577% change)
linmin: converged after 4 iterations.
iteration 214: trace = 2.449441809454352 (0.00013119% change)
linmin: converged after 3 iterations.
iteration 215: trace = 2.449436494333873 (0.000216993% change)
linmin: converged after 4 iterations.
iteration 216: trace = 2.449435634144355 (3.51179e-05% change)
large trace change predicted (0.000115454%)
linmin: converged after 7 iterations.
iteration 217: trace = 2.449432806490806 (0.000115441% change)
linmin: converged after 5 iterations.
iteration 218: trace = 2.449430943565843 (7.60554e-05% change)
linmin: converged after 3 iterations.
iteration 219: trace = 2.449430283245927 (2.69581e-05% change)
large trace change predicted (7.00848e-05%)
linmin: converged after 3 iterations.
iteration 220: trace = 2.4494285668072 (7.0075e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.449426521749749 (8.34912e-05% change)
linmin: converged after 5 iterations.
iteration 222: trace = 2.449425564425491 (3.90836e-05% change)
linmin: converged after 2 iterations.
iteration 223: trace = 2.449424332606356 (5.02901e-05% change)
large trace change predicted (0.000110628%)
linmin: converged after 4 iterations.
iteration 224: trace = 2.449421624089753 (0.000110578% change)
linmin: converged after 3 iterations.
iteration 225: trace = 2.449420972287295 (2.66105e-05% change)
large trace change predicted (0.000117549%)
linmin: converged after 3 iterations.
iteration 226: trace = 2.44941809362175 (0.000117524% change)
linmin: converged after 4 iterations.
iteration 227: trace = 2.449415830015894 (9.24141e-05% change)
linmin: converged after 3 iterations.
iteration 228: trace = 2.449414718488296 (4.53793e-05% change)
large trace change predicted (0.000115058%)
linmin: converged after 4 iterations.
iteration 229: trace = 2.44941189853066 (0.000115128% change)
linmin: converged after 3 iterations.
iteration 230: trace = 2.44940933423477 (0.00010469% change)
linmin: converged after 3 iterations.
iteration 231: trace = 2.449408340684099 (4.05629e-05% change)
large trace change predicted (8.16384e-05%)
linmin: converged after 5 iterations.
iteration 232: trace = 2.449406340469369 (8.16612e-05% change)
linmin: converged after 3 iterations.
iteration 233: trace = 2.449405028464091 (5.35642e-05% change)
linmin: converged after 3 iterations.
iteration 234: trace = 2.449404092537489 (3.82104e-05% change)
large trace change predicted (8.28283e-05%)
linmin: converged after 3 iterations.
iteration 235: trace = 2.44940206187908 (8.29042e-05% change)
linmin: converged after 3 iterations.
iteration 236: trace = 2.449399970633329 (8.53778e-05% change)
linmin: converged after 3 iterations.
iteration 237: trace = 2.449399438628353 (2.17198e-05% change)
large trace change predicted (4.51547e-05%)
linmin: converged after 5 iterations.
iteration 238: trace = 2.449398332309524 (4.5167e-05% change)
linmin: converged after 3 iterations.
iteration 239: trace = 2.449397249574377 (4.42041e-05% change)
linmin: converged after 17 iterations.
iteration 240: trace = 2.449396918889177 (1.35007e-05% change)
large trace change predicted (4.03617e-05%)
linmin: converged after 4 iterations.
iteration 241: trace = 2.449395930071235 (4.03699e-05% change)
linmin: converged after 3 iterations.
iteration 242: trace = 2.449395427205492 (2.05302e-05% change)
linmin: converged after 4 iterations.
iteration 243: trace = 2.449394631572639 (3.24828e-05% change)
linmin: converged after 3 iterations.
iteration 244: trace = 2.449393535117366 (4.47643e-05% change)
linmin: converged after 3 iterations.
iteration 245: trace = 2.449392892400704 (2.62398e-05% change)
large trace change predicted (5.28152e-05%)
linmin: converged after 3 iterations.
iteration 246: trace = 2.449391598931955 (5.28077e-05% change)
linmin: converged after 4 iterations.
iteration 247: trace = 2.449389530665272 (8.44401e-05% change)
linmin: converged after 4 iterations.
iteration 248: trace = 2.449389083026784 (1.82755e-05% change)
large trace change predicted (4.96657e-05%)
linmin: converged after 3 iterations.
iteration 249: trace = 2.449387866663815 (4.96599e-05% change)
linmin: converged after 5 iterations.
iteration 250: trace = 2.449386564837664 (5.31491e-05% change)
linmin: converged after 4 iterations.
iteration 251: trace = 2.449385904981976 (2.69396e-05% change)
large trace change predicted (6.63516e-05%)
linmin: converged after 4 iterations.
iteration 252: trace = 2.449384280072972 (6.63395e-05% change)
linmin: converged after 5 iterations.
iteration 253: trace = 2.449382919473211 (5.55487e-05% change)
linmin: converged after 4 iterations.
iteration 254: trace = 2.44938248846367 (1.75967e-05% change)
large trace change predicted (3.57597e-05%)
linmin: converged after 3 iterations.
iteration 255: trace = 2.449381612567119 (3.57599e-05% change)
linmin: converged after 3 iterations.
iteration 256: trace = 2.449380478365786 (4.63056e-05% change)
linmin: converged after 4 iterations.
iteration 257: trace = 2.44938005351113 (1.73454e-05% change)
large trace change predicted (4.27343e-05%)
linmin: converged after 8 iterations.
iteration 258: trace = 2.449379006781027 (4.27345e-05% change)
linmin: converged after 3 iterations.
iteration 259: trace = 2.449378058758882 (3.87046e-05% change)
linmin: converged after 3 iterations.
iteration 260: trace = 2.44937765001109 (1.66878e-05% change)
linmin: converged after 7 iterations.
iteration 261: trace = 2.449376845670606 (3.28386e-05% change)
linmin: converged after 4 iterations.
iteration 262: trace = 2.449375720676586 (4.59298e-05% change)
linmin: converged after 2 iterations.
iteration 263: trace = 2.449375362732151 (1.46137e-05% change)
large trace change predicted (6.46068e-05%)
linmin: converged after 3 iterations.
iteration 264: trace = 2.449373780814214 (6.45846e-05% change)
linmin: converged after 6 iterations.
iteration 265: trace = 2.449372755734355 (4.18507e-05% change)
linmin: converged after 3 iterations.
iteration 266: trace = 2.449371792432491 (3.93285e-05% change)
large trace change predicted (8.58709e-05%)
linmin: converged after 4 iterations.
iteration 267: trace = 2.449369690449359 (8.58173e-05% change)
linmin: converged after 5 iterations.
iteration 268: trace = 2.449368874852692 (3.32982e-05% change)
linmin: converged after 9 iterations.
iteration 269: trace = 2.449367793256231 (4.41582e-05% change)
linmin: converged after 4 iterations.
iteration 270: trace = 2.449366630582098 (4.74683e-05% change)
linmin: converged after 3 iterations.
iteration 271: trace = 2.449366243658539 (1.57969e-05% change)
linmin: converged after 3 iterations.
iteration 272: trace = 2.44936563589116 (2.48133e-05% change)
large trace change predicted (5.39394e-05%)
linmin: converged after 4 iterations.
iteration 273: trace = 2.449364314802962 (5.39359e-05% change)
linmin: converged after 4 iterations.
iteration 274: trace = 2.449363950319062 (1.48808e-05% change)
large trace change predicted (4.77899e-05%)
linmin: converged after 4 iterations.
iteration 275: trace = 2.44936277967462 (4.77938e-05% change)
linmin: converged after 4 iterations.
iteration 276: trace = 2.449361829792793 (3.87808e-05% change)
linmin: converged after 3 iterations.
iteration 277: trace = 2.449361467655149 (1.4785e-05% change)
linmin: converged after 4 iterations.
iteration 278: trace = 2.449360860224534 (2.47996e-05% change)
linmin: converged after 4 iterations.
iteration 279: trace = 2.449360329464341 (2.16693e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 280: trace = 2.449360193325828 (5.55813e-06% change)
linmin: converged after 3 iterations.
iteration 281: trace = 2.44935994618302 (1.00901e-05% change)
linmin: converged after 4 iterations.
iteration 282: trace = 2.449359517939592 (1.74839e-05% change)
linmin: converged after 4 iterations.
iteration 283: trace = 2.449359305809744 (8.66063e-06% change)
large trace change predicted (2.59609e-05%)
linmin: converged after 3 iterations.
iteration 284: trace = 2.449358669905291 (2.59621e-05% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.449357632577434 (4.2351e-05% change)
linmin: converged after 5 iterations.
iteration 286: trace = 2.449357341680221 (1.18765e-05% change)
large trace change predicted (3.95153e-05%)
linmin: converged after 4 iterations.
iteration 287: trace = 2.449356373621772 (3.9523e-05% change)
linmin: converged after 5 iterations.
iteration 288: trace = 2.449355959338408 (1.6914e-05% change)
linmin: converged after 3 iterations.
iteration 289: trace = 2.44935569552776 (1.07706e-05% change)
large trace change predicted (3.00168e-05%)
linmin: converged after 4 iterations.
iteration 290: trace = 2.449354960250441 (3.00192e-05% change)
linmin: converged after 4 iterations.
iteration 291: trace = 2.449354411930939 (2.23863e-05% change)
linmin: converged after 3 iterations.
iteration 292: trace = 2.449353722148272 (2.81618e-05% change)
linmin: converged after 4 iterations.
iteration 293: trace = 2.449352721232571 (4.08645e-05% change)
linmin: converged after 4 iterations.
iteration 294: trace = 2.449351915117644 (3.29114e-05% change)
linmin: converged after 4 iterations.
iteration 295: trace = 2.449351557043779 (1.46191e-05% change)
large trace change predicted (3.86143e-05%)
linmin: converged after 4 iterations.
iteration 296: trace = 2.449350611060736 (3.86218e-05% change)
linmin: converged after 4 iterations.
iteration 297: trace = 2.449350207537366 (1.64747e-05% change)
linmin: converged after 3 iterations.
iteration 298: trace = 2.449349864380816 (1.40101e-05% change)
linmin: converged after 4 iterations.
iteration 299: trace = 2.449349481121152 (1.56474e-05% change)
linmin: converged after 4 iterations.
iteration 300: trace = 2.449349187572277 (1.19848e-05% change)
linmin: converged after 3 iterations.
iteration 301: trace = 2.449348824996862 (1.48029e-05% change)
linmin: converged after 4 iterations.
iteration 302: trace = 2.449348207170472 (2.52241e-05% change)
linmin: converged after 3 iterations.
iteration 303: trace = 2.449347842976861 (1.4869e-05% change)
linmin: converged after 10 iterations.
iteration 304: trace = 2.449347307150961 (2.18763e-05% change)
linmin: converged after 3 iterations.
iteration 305: trace = 2.449346702238563 (2.46969e-05% change)
linmin: converged after 4 iterations.
iteration 306: trace = 2.449346058070105 (2.62996e-05% change)
linmin: converged after 3 iterations.
iteration 307: trace = 2.449345847039887 (8.61578e-06% change)
large trace change predicted (3.02896e-05%)
linmin: converged after 3 iterations.
iteration 308: trace = 2.449345104999269 (3.02955e-05% change)
linmin: converged after 4 iterations.
iteration 309: trace = 2.449344654488271 (1.83931e-05% change)
linmin: converged after 4 iterations.
iteration 310: trace = 2.449344396125454 (1.05482e-05% change)
large trace change predicted (2.61846e-05%)
linmin: converged after 4 iterations.
iteration 311: trace = 2.449343754628772 (2.61905e-05% change)
linmin: converged after 5 iterations.
iteration 312: trace = 2.449343060104885 (2.83555e-05% change)
linmin: converged after 3 iterations.
iteration 313: trace = 2.449342746894462 (1.27875e-05% change)
large trace change predicted (3.15839e-05%)
linmin: converged after 4 iterations.
iteration 314: trace = 2.449341973236189 (3.15864e-05% change)
linmin: converged after 4 iterations.
iteration 315: trace = 2.449341668470169 (1.24428e-05% change)
linmin: converged after 3 iterations.
iteration 316: trace = 2.449341323890793 (1.40682e-05% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.449340724041253 (2.44902e-05% change)
linmin: converged after 3 iterations.
iteration 318: trace = 2.449340627848021 (3.92731e-06% change)
large trace change predicted (1.54826e-05%)
linmin: converged after 3 iterations.
iteration 319: trace = 2.449340248658823 (1.54813e-05% change)
linmin: converged after 3 iterations.
iteration 320: trace = 2.449339906894235 (1.39533e-05% change)
linmin: converged after 12 iterations.
iteration 321: trace = 2.44933971144219 (7.97978e-06% change)
large trace change predicted (1.99027e-05%)
linmin: converged after 5 iterations.
iteration 322: trace = 2.449339224131502 (1.98956e-05% change)
linmin: converged after 4 iterations.
iteration 323: trace = 2.449338376540003 (3.46049e-05% change)
linmin: converged after 4 iterations.
iteration 324: trace = 2.449338127844788 (1.01536e-05% change)
linmin: converged after 4 iterations.
iteration 325: trace = 2.44933764652807 (1.96509e-05% change)
linmin: converged after 5 iterations.
iteration 326: trace = 2.449336972861738 (2.7504e-05% change)
linmin: converged after 3 iterations.
iteration 327: trace = 2.449336737184612 (9.62208e-06% change)
large trace change predicted (2.5633e-05%)
linmin: converged after 3 iterations.
iteration 328: trace = 2.449336109518837 (2.5626e-05% change)
linmin: converged after 6 iterations.
iteration 329: trace = 2.449334963984735 (4.67692e-05% change)
linmin: converged after 5 iterations.
iteration 330: trace = 2.44933466764013 (1.2099e-05% change)
large trace change predicted (4.6207e-05%)
linmin: converged after 3 iterations.
iteration 331: trace = 2.44933353585055 (4.62081e-05% change)
linmin: converged after 4 iterations.
iteration 332: trace = 2.449332528715524 (4.11187e-05% change)
linmin: converged after 4 iterations.
iteration 333: trace = 2.44933215481141 (1.52656e-05% change)
large trace change predicted (3.17647e-05%)
linmin: converged after 4 iterations.
iteration 334: trace = 2.44933137674793 (3.17664e-05% change)
linmin: converged after 3 iterations.
iteration 335: trace = 2.449330585861198 (3.22899e-05% change)
linmin: converged after 3 iterations.
iteration 336: trace = 2.449330374173485 (8.64268e-06% change)
linmin: converged after 5 iterations.
iteration 337: trace = 2.449330012869878 (1.47511e-05% change)
linmin: converged after 4 iterations.
iteration 338: trace = 2.449329486830409 (2.14769e-05% change)
linmin: converged after 5 iterations.
iteration 339: trace = 2.449329323158688 (6.68231e-06% change)
large trace change predicted (1.97878e-05%)
linmin: converged after 3 iterations.
iteration 340: trace = 2.449328838430115 (1.97903e-05% change)
linmin: converged after 4 iterations.
iteration 341: trace = 2.449328336325411 (2.04997e-05% change)
linmin: converged after 3 iterations.
iteration 342: trace = 2.449328094843118 (9.85912e-06% change)
linmin: converged after 3 iterations.
iteration 343: trace = 2.44932761440938 (1.96149e-05% change)
linmin: converged after 3 iterations.
iteration 344: trace = 2.449326676215543 (3.83041e-05% change)
linmin: converged after 3 iterations.
iteration 345: trace = 2.44932626318696 (1.68629e-05% change)
large trace change predicted (3.78492e-05%)
linmin: converged after 5 iterations.
iteration 346: trace = 2.44932533598196 (3.78555e-05% change)
linmin: converged after 3 iterations.
iteration 347: trace = 2.449324546731702 (3.22232e-05% change)
linmin: converged after 4 iterations.
iteration 348: trace = 2.449324227406307 (1.30373e-05% change)
large trace change predicted (6.02654e-05%)
linmin: converged after 5 iterations.
iteration 349: trace = 2.449322750975162 (6.02791e-05% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 350: trace = 2.449321892900501 (3.50331e-05% change)
linmin: converged after 7 iterations.
iteration 351: trace = 2.449321683898963 (8.53304e-06% change)
large trace change predicted (2.65235e-05%)
linmin: converged after 3 iterations.
iteration 352: trace = 2.44932103422288 (2.65247e-05% change)
linmin: converged after 4 iterations.
iteration 353: trace = 2.449320437074354 (2.43802e-05% change)
linmin: converged after 2 iterations.
iteration 354: trace = 2.449320221649538 (8.79529e-06% change)
large trace change predicted (3.12902e-05%)
linmin: converged after 6 iterations.
iteration 355: trace = 2.449319455292288 (3.12886e-05% change)
linmin: converged after 2 iterations.
iteration 356: trace = 2.4493191233144 (1.35539e-05% change)
linmin: converged after 2 iterations.
iteration 357: trace = 2.449318967676911 (6.35432e-06% change)
linmin: converged after 3 iterations.
iteration 358: trace = 2.449318672615042 (1.20467e-05% change)
linmin: converged after 3 iterations.
iteration 359: trace = 2.449318385140851 (1.17369e-05% change)
linmin: converged after 5 iterations.
iteration 360: trace = 2.449318301710792 (3.40626e-06% change)
large trace change predicted (1.14743e-05%)
linmin: converged after 3 iterations.
iteration 361: trace = 2.449318020705964 (1.14728e-05% change)
linmin: converged after 3 iterations.
iteration 362: trace = 2.449317813628271 (8.4545e-06% change)
linmin: converged after 13 iterations.
iteration 363: trace = 2.449317706580891 (4.3705e-06% change)
large trace change predicted (1.71581e-05%)
linmin: converged after 4 iterations.
iteration 364: trace = 2.449317286438743 (1.71534e-05% change)
linmin: converged after 5 iterations.
iteration 365: trace = 2.449317121722504 (6.72499e-06% change)
large trace change predicted (1.88753e-05%)
linmin: converged after 3 iterations.
iteration 366: trace = 2.44931665952607 (1.88704e-05% change)
linmin: converged after 5 iterations.
iteration 367: trace = 2.449316284035032 (1.53304e-05% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.44931598779728 (1.20947e-05% change)
linmin: converged after 3 iterations.
iteration 369: trace = 2.449315617308174 (1.51262e-05% change)
linmin: converged after 4 iterations.
iteration 370: trace = 2.449315100622467 (2.10951e-05% change)
linmin: converged after 4 iterations.
iteration 371: trace = 2.449314966477075 (5.47685e-06% change)
large trace change predicted (1.54796e-05%)
linmin: converged after 4 iterations.
iteration 372: trace = 2.449314587271526 (1.54821e-05% change)
linmin: converged after 3 iterations.
iteration 373: trace = 2.449314209642466 (1.54177e-05% change)
linmin: converged after 3 iterations.
iteration 374: trace = 2.449314060042585 (6.10783e-06% change)
linmin: converged after 5 iterations.
iteration 375: trace = 2.44931376699174 (1.19646e-05% change)
linmin: converged after 3 iterations.
iteration 376: trace = 2.449313392413096 (1.52932e-05% change)
linmin: converged after 4 iterations.
iteration 377: trace = 2.449313196464976 (8.00012e-06% change)
linmin: converged after 3 iterations.
iteration 378: trace = 2.44931311062353 (3.50472e-06% change)
linmin: converged after 3 iterations.
iteration 379: trace = 2.449312940551659 (6.94366e-06% change)
linmin: converged after 3 iterations.
iteration 380: trace = 2.449312827552721 (4.6135e-06% change)
linmin: converged after 6 iterations.
iteration 381: trace = 2.449312747911022 (3.25159e-06% change)
large trace change predicted (7.49008e-06%)
linmin: converged after 3 iterations.
iteration 382: trace = 2.44931256444564 (7.49048e-06% change)
linmin: converged after 3 iterations.
iteration 383: trace = 2.44931247121995 (3.8062e-06% change)
linmin: converged after 4 iterations.
iteration 384: trace = 2.44931233049468 (5.7455e-06% change)
large trace change predicted (1.2039e-05%)
linmin: converged after 4 iterations.
iteration 385: trace = 2.449312035633255 (1.20385e-05% change)
linmin: converged after 4 iterations.
iteration 386: trace = 2.449311885456354 (6.13139e-06% change)
large trace change predicted (1.24054e-05%)
linmin: converged after 3 iterations.
iteration 387: trace = 2.449311581661915 (1.24033e-05% change)
linmin: converged after 3 iterations.
iteration 388: trace = 2.449311389087495 (7.86239e-06% change)
linmin: converged after 2 iterations.
iteration 389: trace = 2.449311268698603 (4.91521e-06% change)
linmin: converged after 6 iterations.
iteration 390: trace = 2.449311073926549 (7.95212e-06% change)
linmin: converged after 5 iterations.
iteration 391: trace = 2.44931073475165 (1.38478e-05% change)
linmin: converged after 6 iterations.
iteration 392: trace = 2.449310656267942 (3.20432e-06% change)
large trace change predicted (9.56188e-06%)
linmin: converged after 3 iterations.
iteration 393: trace = 2.44931042209365 (9.56082e-06% change)
linmin: converged after 3 iterations.
iteration 394: trace = 2.449310228419627 (7.90729e-06% change)
linmin: converged after 4 iterations.
iteration 395: trace = 2.449310150478858 (3.18215e-06% change)
large trace change predicted (8.64275e-06%)
linmin: converged after 11 iterations.
iteration 396: trace = 2.449309938782913 (8.64308e-06% change)
linmin: converged after 4 iterations.
iteration 397: trace = 2.44930975921922 (7.3312e-06% change)
linmin: converged after 4 iterations.
iteration 398: trace = 2.449309705724143 (2.18409e-06% change)
large trace change predicted (8.31773e-06%)
linmin: converged after 4 iterations.
iteration 399: trace = 2.449309502012794 (8.31709e-06% change)
linmin: converged after 2 iterations.
iteration 400: trace = 2.449309392642907 (4.46534e-06% change)
linmin: converged after 4 iterations.
iteration 401: trace = 2.44930934131938 (2.09543e-06% change)
large trace change predicted (8.87334e-06%)
linmin: converged after 3 iterations.
iteration 402: trace = 2.449309123997631 (8.87278e-06% change)
linmin: converged after 8 iterations.
iteration 403: trace = 2.449308922222955 (8.23802e-06% change)
linmin: converged after 4 iterations.
iteration 404: trace = 2.449308823311691 (4.03833e-06% change)
large trace change predicted (8.17136e-06%)
linmin: converged after 8 iterations.
iteration 405: trace = 2.449308623174232 (8.17118e-06% change)
linmin: converged after 5 iterations.
iteration 406: trace = 2.449308380629756 (9.90257e-06% change)
linmin: converged after 5 iterations.
iteration 407: trace = 2.44930832157959 (2.41089e-06% change)
large trace change predicted (9.74911e-06%)
linmin: converged after 5 iterations.
iteration 408: trace = 2.449308082812707 (9.74834e-06% change)
linmin: converged after 3 iterations.
iteration 409: trace = 2.449307928331722 (6.30713e-06% change)
linmin: converged after 4 iterations.
iteration 410: trace = 2.449307863381324 (2.65179e-06% change)
linmin: converged after 11 iterations.
iteration 411: trace = 2.449307750719834 (4.59973e-06% change)
linmin: converged after 9 iterations.
iteration 412: trace = 2.44930759617264 (6.30983e-06% change)
linmin: converged after 8 iterations.
iteration 413: trace = 2.449307507967606 (3.60122e-06% change)
large trace change predicted (7.30561e-06%)
linmin: converged after 3 iterations.
iteration 414: trace = 2.449307329057715 (7.30451e-06% change)
linmin: converged after 18 iterations.
iteration 415: trace = 2.449307207178362 (4.97607e-06% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.449307129373056 (3.17663e-06% change)
linmin: converged after 3 iterations.
iteration 417: trace = 2.449307006639951 (5.01093e-06% change)
linmin: converged after 2 iterations.
iteration 418: trace = 2.449306966864445 (1.62395e-06% change)
linmin: converged after 6 iterations.
iteration 419: trace = 2.449306914000276 (2.15833e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 420: trace = 2.449306875380481 (1.57676e-06% change)
linmin: converged after 2 iterations.
iteration 421: trace = 2.449306850612654 (1.01122e-06% change)
large trace change predicted (3.39569e-06%)
linmin: converged after 5 iterations.
iteration 422: trace = 2.449306767437286 (3.39587e-06% change)
linmin: converged after 5 iterations.
iteration 423: trace = 2.449306675578913 (3.75038e-06% change)
linmin: converged after 7 iterations.
iteration 424: trace = 2.449306620981348 (2.2291e-06% change)
large trace change predicted (8.29323e-06%)
linmin: converged after 4 iterations.
iteration 425: trace = 2.449306417828372 (8.29431e-06% change)
linmin: converged after 3 iterations.
iteration 426: trace = 2.449306328329006 (3.65407e-06% change)
linmin: converged after 3 iterations.
iteration 427: trace = 2.449306220976023 (4.383e-06% change)
linmin: converged after 4 iterations.
iteration 428: trace = 2.449306118848337 (4.16966e-06% change)
linmin: converged after 3 iterations.
iteration 429: trace = 2.449306055279931 (2.59536e-06% change)
linmin: converged after 3 iterations.
iteration 430: trace = 2.449305938052055 (4.78617e-06% change)
linmin: converged after 3 iterations.
iteration 431: trace = 2.449305785141147 (6.24303e-06% change)
linmin: converged after 3 iterations.
iteration 432: trace = 2.449305689851015 (3.8905e-06% change)
linmin: converged after 4 iterations.
iteration 433: trace = 2.44930558817213 (4.15134e-06% change)
large trace change predicted (8.77595e-06%)
linmin: converged after 3 iterations.
iteration 434: trace = 2.449305373204743 (8.77667e-06% change)
linmin: converged after 3 iterations.
iteration 435: trace = 2.449305304858868 (2.79042e-06% change)
large trace change predicted (6.12304e-06%)
linmin: converged after 3 iterations.
iteration 436: trace = 2.449305154891053 (6.12287e-06% change)
linmin: converged after 2 iterations.
iteration 437: trace = 2.449305036000753 (4.85404e-06% change)
linmin: converged after 2 iterations.
iteration 438: trace = 2.44930496041736 (3.08591e-06% change)
linmin: converged after 10 iterations.
iteration 439: trace = 2.449304917601723 (1.74807e-06% change)
large trace change predicted (5.15328e-06%)
linmin: converged after 4 iterations.
iteration 440: trace = 2.449304791369659 (5.15379e-06% change)
linmin: converged after 4 iterations.
iteration 441: trace = 2.449304741458016 (2.03779e-06% change)
linmin: converged after 7 iterations.
iteration 442: trace = 2.449304654473372 (3.5514e-06% change)
linmin: converged after 3 iterations.
iteration 443: trace = 2.449304509184595 (5.93184e-06% change)
linmin: converged after 5 iterations.
iteration 444: trace = 2.449304456294106 (2.15941e-06% change)
large trace change predicted (4.95564e-06%)
linmin: converged after 4 iterations.
iteration 445: trace = 2.449304334903203 (4.95614e-06% change)
linmin: converged after 4 iterations.
iteration 446: trace = 2.449304173873083 (6.57452e-06% change)
linmin: converged after 11 iterations.
iteration 447: trace = 2.449304134298035 (1.61577e-06% change)
large trace change predicted (5.56691e-06%)
linmin: converged after 3 iterations.
iteration 448: trace = 2.449303997940504 (5.56719e-06% change)
linmin: converged after 3 iterations.
iteration 449: trace = 2.449303877039199 (4.93615e-06% change)
linmin: converged after 3 iterations.
iteration 450: trace = 2.449303809660057 (2.75095e-06% change)
linmin: converged after 15 iterations.
iteration 451: trace = 2.449303703251061 (4.34446e-06% change)
linmin: converged after 4 iterations.
iteration 452: trace = 2.449303521720978 (7.4115e-06% change)
linmin: converged after 3 iterations.
iteration 453: trace = 2.449303479410832 (1.72744e-06% change)
large trace change predicted (6.30616e-06%)
linmin: converged after 4 iterations.
iteration 454: trace = 2.44930332494781 (6.30641e-06% change)
linmin: converged after 2 iterations.
iteration 455: trace = 2.449303196299648 (5.25244e-06% change)
linmin: converged after 5 iterations.
iteration 456: trace = 2.44930315680863 (1.61234e-06% change)
large trace change predicted (4.36591e-06%)
linmin: converged after 3 iterations.
iteration 457: trace = 2.449303049879013 (4.36572e-06% change)
linmin: converged after 4 iterations.
iteration 458: trace = 2.449302998882024 (2.0821e-06% change)
linmin: converged after 5 iterations.
iteration 459: trace = 2.449302971831586 (1.10441e-06% change)
large trace change predicted (2.85974e-06%)
linmin: converged after 7 iterations.
iteration 460: trace = 2.449302901795706 (2.85942e-06% change)
linmin: converged after 3 iterations.
iteration 461: trace = 2.449302804517566 (3.97167e-06% change)
linmin: converged after 4 iterations.
iteration 462: trace = 2.449302758683433 (1.87131e-06% change)
large trace change predicted (7.37638e-06%)
linmin: converged after 3 iterations.
iteration 463: trace = 2.449302578077613 (7.37376e-06% change)
linmin: converged after 6 iterations.
iteration 464: trace = 2.449302439055304 (5.676e-06% change)
linmin: converged after 4 iterations.
iteration 465: trace = 2.449302385527099 (2.18545e-06% change)
large trace change predicted (6.13002e-06%)
linmin: converged after 10 iterations.
iteration 466: trace = 2.449302235400487 (6.12936e-06% change)
linmin: converged after 5 iterations.
iteration 467: trace = 2.449302087328288 (6.04549e-06% change)
linmin: converged after 11 iterations.
iteration 468: trace = 2.449302021521985 (2.68674e-06% change)
large trace change predicted (8.49346e-06%)
linmin: converged after 3 iterations.
iteration 469: trace = 2.44930181348616 (8.49368e-06% change)
linmin: converged after 3 iterations.
iteration 470: trace = 2.449301644772229 (6.88825e-06% change)
linmin: converged after 4 iterations.
iteration 471: trace = 2.449301544563133 (4.09133e-06% change)
linmin: converged after 3 iterations.
iteration 472: trace = 2.449301367402688 (7.2331e-06% change)
linmin: converged after 8 iterations.
iteration 473: trace = 2.449301158918312 (8.51199e-06% change)
linmin: converged after 3 iterations.
iteration 474: trace = 2.449301103788178 (2.25085e-06% change)
large trace change predicted (4.70311e-06%)
linmin: converged after 4 iterations.
iteration 475: trace = 2.449300988580139 (4.70371e-06% change)
linmin: converged after 6 iterations.
iteration 476: trace = 2.449300896772737 (3.74831e-06% change)
linmin: converged after 3 iterations.
iteration 477: trace = 2.449300866357832 (1.24178e-06% change)
large trace change predicted (3.92601e-06%)
linmin: converged after 3 iterations.
iteration 478: trace = 2.44930077018778 (3.92643e-06% change)
linmin: converged after 2 iterations.
iteration 479: trace = 2.449300683770554 (3.52824e-06% change)
linmin: converged after 4 iterations.
iteration 480: trace = 2.449300656479704 (1.11423e-06% change)
large trace change predicted (3.23321e-06%)
linmin: converged after 2 iterations.
iteration 481: trace = 2.449300577278313 (3.23363e-06% change)
linmin: converged after 6 iterations.
iteration 482: trace = 2.449300466061751 (4.54075e-06% change)
linmin: converged after 2 iterations.
iteration 483: trace = 2.449300428023244 (1.55304e-06% change)
large trace change predicted (7.25073e-06%)
linmin: converged after 3 iterations.
iteration 484: trace = 2.449300250425539 (7.25096e-06% change)
linmin: converged after 4 iterations.
iteration 485: trace = 2.449300131892638 (4.83946e-06% change)
linmin: converged after 2 iterations.
iteration 486: trace = 2.449300072898354 (2.40862e-06% change)
large trace change predicted (8.52883e-06%)
linmin: converged after 6 iterations.
iteration 487: trace = 2.449299863989046 (8.52935e-06% change)
linmin: converged after 3 iterations.
iteration 488: trace = 2.449299665082108 (8.12097e-06% change)
large trace change predicted (1.9404e-05%)
linmin: converged after 3 iterations.
iteration 489: trace = 2.44929918983289 (1.94035e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 490: trace = 2.449298962043534 (9.30019e-06% change)
linmin: converged after 9 iterations.
iteration 491: trace = 2.449298755844723 (8.41869e-06% change)
linmin: converged after 5 iterations.
iteration 492: trace = 2.449298620798816 (5.51366e-06% change)
linmin: converged after 4 iterations.
iteration 493: trace = 2.449298572090829 (1.98865e-06% change)
large trace change predicted (6.48881e-06%)
linmin: converged after 2 iterations.
iteration 494: trace = 2.449298413153169 (6.48911e-06% change)
linmin: converged after 4 iterations.
iteration 495: trace = 2.449298359767387 (2.17964e-06% change)
linmin: converged after 4 iterations.
iteration 496: trace = 2.449298280489823 (3.23675e-06% change)
linmin: converged after 3 iterations.
iteration 497: trace = 2.449298194838207 (3.49699e-06% change)
linmin: converged after 12 iterations.
iteration 498: trace = 2.449298140239789 (2.22915e-06% change)
linmin: converged after 2 iterations.
iteration 499: trace = 2.449298097612467 (1.74039e-06% change)
linmin: converged after 8 iterations.
iteration 500: trace = 2.449298035490159 (2.53633e-06% change)
linmin: converged after 3 iterations.
iteration 501: trace = 2.449297992034129 (1.77422e-06% change)
linmin: converged after 4 iterations.
iteration 502: trace = 2.449297971223781 (8.49645e-07% change)
large trace change predicted (1.87991e-06%)
linmin: converged after 5 iterations.
iteration 503: trace = 2.449297925181443 (1.87982e-06% change)
linmin: converged after 4 iterations.
iteration 504: trace = 2.449297878139211 (1.92064e-06% change)
linmin: converged after 5 iterations.
iteration 505: trace = 2.449297845111048 (1.34847e-06% change)
large trace change predicted (4.69833e-06%)
linmin: converged after 6 iterations.
iteration 506: trace = 2.449297730059884 (4.69731e-06% change)
linmin: converged after 4 iterations.
iteration 507: trace = 2.449297699988394 (1.22776e-06% change)
linmin: converged after 3 iterations.
iteration 508: trace = 2.449297642199617 (2.3594e-06% change)
large trace change predicted (4.81107e-06%)
linmin: converged after 3 iterations.
iteration 509: trace = 2.44929752438478 (4.81015e-06% change)
linmin: converged after 4 iterations.
iteration 510: trace = 2.44929747911903 (1.84811e-06% change)
large trace change predicted (3.70331e-06%)
linmin: converged after 3 iterations.
iteration 511: trace = 2.449297388423847 (3.70291e-06% change)
linmin: converged after 3 iterations.
iteration 512: trace = 2.449297301422007 (3.55211e-06% change)
linmin: converged after 15 iterations.
iteration 513: trace = 2.44929726710429 (1.40112e-06% change)
linmin: converged after 4 iterations.
iteration 514: trace = 2.449297202493594 (2.63793e-06% change)
linmin: converged after 4 iterations.
iteration 515: trace = 2.449297118123978 (3.44465e-06% change)
linmin: converged after 5 iterations.
iteration 516: trace = 2.449297098977328 (7.8172e-07% change)
large trace change predicted (2.38664e-06%)
linmin: converged after 9 iterations.
iteration 517: trace = 2.449297040514986 (2.3869e-06% change)
linmin: converged after 4 iterations.
iteration 518: trace = 2.449296982513297 (2.3681e-06% change)
linmin: converged after 4 iterations.
iteration 519: trace = 2.449296940061365 (1.73323e-06% change)
linmin: converged after 12 iterations.
iteration 520: trace = 2.449296930723386 (3.81251e-07% change)
large trace change predicted (1.41312e-06%)
linmin: converged after 8 iterations.
iteration 521: trace = 2.449296896110427 (1.41318e-06% change)
linmin: converged after 5 iterations.
iteration 522: trace = 2.449296876492185 (8.00974e-07% change)
linmin: converged after 2 iterations.
iteration 523: trace = 2.449296860085393 (6.69857e-07% change)
large trace change predicted (1.71313e-06%)
linmin: converged after 4 iterations.
iteration 524: trace = 2.449296818124541 (1.71318e-06% change)
linmin: converged after 7 iterations.
iteration 525: trace = 2.449296788553737 (1.20732e-06% change)
linmin: converged after 10 iterations.
iteration 526: trace = 2.449296751865314 (1.49792e-06% change)
linmin: converged after 4 iterations.
iteration 527: trace = 2.449296681629323 (2.8676e-06% change)
linmin: converged after 5 iterations.
iteration 528: trace = 2.449296661715937 (8.13025e-07% change)
linmin: converged after 4 iterations.
iteration 529: trace = 2.44929662364585 (1.55433e-06% change)
linmin: converged after 4 iterations.
iteration 530: trace = 2.449296567946919 (2.27408e-06% change)
linmin: converged after 3 iterations.
iteration 531: trace = 2.449296554510048 (5.48601e-07% change)
large trace change predicted (2.41023e-06%)
linmin: converged after 3 iterations.
iteration 532: trace = 2.449296495480694 (2.41005e-06% change)
linmin: converged after 4 iterations.
iteration 533: trace = 2.449296442332612 (2.16993e-06% change)
linmin: converged after 5 iterations.
iteration 534: trace = 2.449296422451371 (8.11712e-07% change)
linmin: converged after 4 iterations.
iteration 535: trace = 2.449296389842277 (1.33137e-06% change)
linmin: converged after 5 iterations.
iteration 536: trace = 2.449296332679542 (2.33384e-06% change)
linmin: converged after 4 iterations.
iteration 537: trace = 2.449296319700671 (5.29902e-07% change)
large trace change predicted (1.61254e-06%)
linmin: converged after 4 iterations.
iteration 538: trace = 2.449296280205539 (1.61251e-06% change)
linmin: converged after 10 iterations.
iteration 539: trace = 2.449296248674388 (1.28736e-06% change)
linmin: converged after 4 iterations.
iteration 540: trace = 2.4492962396169 (3.698e-07% change)
large trace change predicted (1.30988e-06%)
linmin: converged after 5 iterations.
iteration 541: trace = 2.449296207534937 (1.30984e-06% change)
linmin: converged after 11 iterations.
iteration 542: trace = 2.449296174568539 (1.34595e-06% change)
linmin: converged after 5 iterations.
iteration 543: trace = 2.449296165985985 (3.50409e-07% change)
large trace change predicted (1.77249e-06%)
linmin: converged after 4 iterations.
iteration 544: trace = 2.449296122573905 (1.77243e-06% change)
linmin: converged after 4 iterations.
iteration 545: trace = 2.449296091985974 (1.24885e-06% change)
linmin: converged after 10 iterations.
iteration 546: trace = 2.449296075552141 (6.70961e-07% change)
large trace change predicted (1.84229e-06%)
linmin: converged after 7 iterations.
iteration 547: trace = 2.449296030429687 (1.84226e-06% change)
linmin: converged after 4 iterations.
iteration 548: trace = 2.449295973818217 (2.31134e-06% change)
linmin: converged after 5 iterations.
iteration 549: trace = 2.449295963073737 (4.38676e-07% change)
large trace change predicted (1.57194e-06%)
linmin: converged after 8 iterations.
iteration 550: trace = 2.449295924573315 (1.5719e-06% change)
linmin: converged after 4 iterations.
iteration 551: trace = 2.449295901411956 (9.45633e-07% change)
linmin: converged after 7 iterations.
iteration 552: trace = 2.449295887073358 (5.85417e-07% change)
large trace change predicted (1.17467e-06%)
linmin: converged after 4 iterations.
iteration 553: trace = 2.449295858302852 (1.17464e-06% change)
linmin: converged after 5 iterations.
iteration 554: trace = 2.449295825594148 (1.33543e-06% change)
linmin: converged after 6 iterations.
iteration 555: trace = 2.449295811533763 (5.74058e-07% change)
linmin: converged after 4 iterations.
iteration 556: trace = 2.449295783511515 (1.14409e-06% change)
linmin: converged after 8 iterations.
iteration 557: trace = 2.449295754158801 (1.19841e-06% change)
linmin: converged after 16 iterations.
iteration 558: trace = 2.449295746000531 (3.33086e-07% change)
large trace change predicted (6.75053e-07%)
linmin: converged after 2 iterations.
iteration 559: trace = 2.449295729466491 (6.75053e-07% change)
resetting CG direction...
linmin: converged after 12 iterations.
iteration 560: trace = 2.449295723699159 (2.35469e-07% change)
linmin: converged after 8 iterations.
iteration 561: trace = 2.449295719145353 (1.85923e-07% change)
large trace change predicted (7.18669e-07%)
linmin: converged after 10 iterations.
iteration 562: trace = 2.449295701542916 (7.18673e-07% change)
linmin: converged after 3 iterations.
iteration 563: trace = 2.449295677695274 (9.73653e-07% change)
linmin: converged after 5 iterations.
iteration 564: trace = 2.449295666842978 (4.43078e-07% change)
large trace change predicted (1.70343e-06%)
linmin: converged after 18 iterations.
iteration 565: trace = 2.4492956251186 (1.70353e-06% change)
linmin: converged after 4 iterations.
iteration 566: trace = 2.449295608568285 (6.75717e-07% change)
linmin: converged after 3 iterations.
iteration 567: trace = 2.449295588398641 (8.23488e-07% change)
linmin: converged after 2 iterations.
iteration 568: trace = 2.449295567387004 (8.57865e-07% change)
linmin: converged after 4 iterations.
iteration 569: trace = 2.449295556837434 (4.30719e-07% change)
large trace change predicted (9.50373e-07%)
linmin: converged after 6 iterations.
iteration 570: trace = 2.449295533559557 (9.50391e-07% change)
linmin: converged after 5 iterations.
iteration 571: trace = 2.449295498742708 (1.4215e-06% change)
linmin: converged after 5 iterations.
iteration 572: trace = 2.449295471337947 (1.11888e-06% change)
linmin: converged after 14 iterations.
iteration 573: trace = 2.449295454315248 (6.95004e-07% change)
large trace change predicted (1.66534e-06%)
linmin: converged after 4 iterations.
iteration 574: trace = 2.449295413523881 (1.66543e-06% change)
linmin: converged after 4 iterations.
iteration 575: trace = 2.449295394090539 (7.93426e-07% change)
linmin: converged after 6 iterations.
iteration 576: trace = 2.449295370806793 (9.5063e-07% change)
linmin: converged after 5 iterations.
iteration 577: trace = 2.449295350994837 (8.08884e-07% change)
linmin: converged after 3 iterations.
iteration 578: trace = 2.449295333125299 (7.29579e-07% change)
linmin: converged after 13 iterations.
iteration 579: trace = 2.449295322520059 (4.32991e-07% change)
large trace change predicted (1.06468e-06%)
linmin: converged after 2 iterations.
iteration 580: trace = 2.449295296442627 (1.06469e-06% change)
linmin: converged after 3 iterations.
iteration 581: trace = 2.449295283122905 (5.43819e-07% change)
linmin: converged after 2 iterations.
iteration 582: trace = 2.449295263991757 (7.81088e-07% change)
linmin: converged after 10 iterations.
iteration 583: trace = 2.449295240008144 (9.79205e-07% change)
linmin: converged after 16 iterations.
iteration 584: trace = 2.449295227655927 (5.04317e-07% change)
large trace change predicted (1.4574e-06%)
linmin: converged after 4 iterations.
iteration 585: trace = 2.449295191960348 (1.45738e-06% change)
linmin: converged after 3 iterations.
iteration 586: trace = 2.449295158881031 (1.35056e-06% change)
linmin: converged after 4 iterations.
iteration 587: trace = 2.449295148138336 (4.38604e-07% change)
linmin: converged after 5 iterations.
iteration 588: trace = 2.44929512938227 (7.65774e-07% change)
linmin: converged after 5 iterations.
iteration 589: trace = 2.449295100364133 (1.18475e-06% change)
linmin: converged after 3 iterations.
iteration 590: trace = 2.449295077814086 (9.20675e-07% change)
linmin: converged after 5 iterations.
iteration 591: trace = 2.449295063016357 (6.04163e-07% change)
large trace change predicted (1.70647e-06%)
linmin: converged after 4 iterations.
iteration 592: trace = 2.449295021218325 (1.70653e-06% change)
linmin: converged after 5 iterations.
iteration 593: trace = 2.449294996460564 (1.01081e-06% change)
linmin: converged after 3 iterations.
iteration 594: trace = 2.44929498378478 (5.17528e-07% change)
large trace change predicted (1.04482e-06%)
linmin: converged after 4 iterations.
iteration 595: trace = 2.449294958194812 (1.04479e-06% change)
linmin: converged after 7 iterations.
iteration 596: trace = 2.449294942464789 (6.42227e-07% change)
linmin: converged after 7 iterations.
iteration 597: trace = 2.449294932495997 (4.07007e-07% change)
linmin: converged after 5 iterations.
iteration 598: trace = 2.449294920019993 (5.09371e-07% change)
linmin: converged after 10 iterations.
iteration 599: trace = 2.449294908978184 (4.50816e-07% change)
linmin: converged after 6 iterations.
iteration 600: trace = 2.44929489979332 (3.75e-07% change)
large trace change predicted (1.29985e-06%)
linmin: converged after 12 iterations.
iteration 601: trace = 2.449294867959889 (1.2997e-06% change)
linmin: converged after 4 iterations.
iteration 602: trace = 2.449294840706553 (1.1127e-06% change)
linmin: converged after 4 iterations.
iteration 603: trace = 2.449294823564626 (6.99872e-07% change)
linmin: converged after 5 iterations.
iteration 604: trace = 2.449294793758948 (1.21691e-06% change)
linmin: converged after 4 iterations.
iteration 605: trace = 2.449294764735275 (1.18498e-06% change)
linmin: converged after 4 iterations.
iteration 606: trace = 2.449294752754349 (4.89158e-07% change)
large trace change predicted (1.57869e-06%)
linmin: converged after 20 iterations.
iteration 607: trace = 2.449294714089068 (1.57863e-06% change)
linmin: converged after 5 iterations.
iteration 608: trace = 2.449294678734368 (1.44346e-06% change)
linmin: converged after 5 iterations.
iteration 609: trace = 2.449294660647144 (7.38467e-07% change)
large trace change predicted (1.52257e-06%)
linmin: converged after 4 iterations.
iteration 610: trace = 2.449294623353037 (1.52265e-06% change)
linmin: converged after 5 iterations.
iteration 611: trace = 2.449294595482258 (1.13791e-06% change)
linmin: converged after 7 iterations.
iteration 612: trace = 2.449294572783566 (9.26744e-07% change)
linmin: converged after 6 iterations.
iteration 613: trace = 2.449294538089499 (1.41649e-06% change)
linmin: converged after 19 iterations.
iteration 614: trace = 2.449294527705394 (4.23963e-07% change)
large trace change predicted (9.49395e-07%)
linmin: converged after 2 iterations.
iteration 615: trace = 2.449294504451907 (9.49395e-07% change)
linmin: converged after 4 iterations.
iteration 616: trace = 2.449294485497237 (7.73883e-07% change)
linmin: converged after 7 iterations.
iteration 617: trace = 2.449294476527676 (3.6621e-07% change)
linmin: converged after 5 iterations.
iteration 618: trace = 2.44929446043988 (6.56834e-07% change)
linmin: converged after 6 iterations.
iteration 619: trace = 2.449294436000751 (9.97803e-07% change)
linmin: converged after 19 iterations.
iteration 620: trace = 2.449294427867938 (3.32047e-07% change)
linmin: converged after 4 iterations.
iteration 621: trace = 2.449294414804712 (5.33346e-07% change)
large trace change predicted (1.14812e-06%)
linmin: converged after 10 iterations.
iteration 622: trace = 2.449294386682773 (1.14816e-06% change)
linmin: converged after 3 iterations.
iteration 623: trace = 2.449294368487843 (7.42864e-07% change)
linmin: converged after 7 iterations.
iteration 624: trace = 2.449294347157103 (8.70893e-07% change)
linmin: converged after 4 iterations.
iteration 625: trace = 2.449294316655181 (1.24534e-06% change)
linmin: converged after 5 iterations.
iteration 626: trace = 2.449294298191574 (7.53834e-07% change)
linmin: converged after 5 iterations.
iteration 627: trace = 2.449294268452204 (1.2142e-06% change)
linmin: converged after 2 iterations.
iteration 628: trace = 2.449294212478974 (2.28528e-06% change)
linmin: converged after 4 iterations.
iteration 629: trace = 2.449294147611416 (2.64842e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 630: trace = 2.449294105642093 (1.71353e-06% change)
linmin: converged after 2 iterations.
iteration 631: trace = 2.449294056000651 (2.02677e-06% change)
linmin: converged after 21 iterations.
iteration 632: trace = 2.449294036115356 (8.11879e-07% change)
linmin: converged after 3 iterations.
iteration 633: trace = 2.449294020774135 (6.26353e-07% change)
large trace change predicted (1.26364e-06%)
linmin: converged after 5 iterations.
iteration 634: trace = 2.449293989823266 (1.26366e-06% change)
linmin: converged after 5 iterations.
iteration 635: trace = 2.449293976441921 (5.46335e-07% change)
linmin: converged after 7 iterations.
iteration 636: trace = 2.449293959433588 (6.94418e-07% change)
linmin: converged after 4 iterations.
iteration 637: trace = 2.449293942145088 (7.05856e-07% change)
linmin: converged after 9 iterations.
iteration 638: trace = 2.449293935059972 (2.89272e-07% change)
linmin: converged after 4 iterations.
iteration 639: trace = 2.449293922056752 (5.30897e-07% change)
linmin: converged after 5 iterations.
iteration 640: trace = 2.449293909693623 (5.04763e-07% change)
linmin: converged after 3 iterations.
iteration 641: trace = 2.449293905490843 (1.71592e-07% change)
large trace change predicted (4.64502e-07%)
linmin: converged after 10 iterations.
iteration 642: trace = 2.44929389411432 (4.64482e-07% change)
linmin: converged after 4 iterations.
iteration 643: trace = 2.449293885505506 (3.51481e-07% change)
linmin: converged after 4 iterations.
iteration 644: trace = 2.449293872214862 (5.42632e-07% change)
linmin: converged after 5 iterations.
iteration 645: trace = 2.449293867163527 (2.06236e-07% change)
large trace change predicted (1.04214e-06%)
linmin: converged after 5 iterations.
iteration 646: trace = 2.449293841640749 (1.04205e-06% change)
linmin: converged after 7 iterations.
iteration 647: trace = 2.449293834134831 (3.06452e-07% change)
large trace change predicted (6.66378e-07%)
linmin: converged after 7 iterations.
iteration 648: trace = 2.449293817813669 (6.66362e-07% change)
linmin: converged after 4 iterations.
iteration 649: trace = 2.449293797219437 (8.40823e-07% change)
linmin: converged after 16 iterations.
iteration 650: trace = 2.449293788665385 (3.49246e-07% change)
large trace change predicted (7.82241e-07%)
linmin: converged after 3 iterations.
iteration 651: trace = 2.449293769506357 (7.82227e-07% change)
linmin: converged after 3 iterations.
iteration 652: trace = 2.449293751428543 (7.38083e-07% change)
linmin: converged after 4 iterations.
iteration 653: trace = 2.449293741139413 (4.20086e-07% change)
linmin: converged after 5 iterations.
iteration 654: trace = 2.449293730736813 (4.24718e-07% change)
linmin: converged after 11 iterations.
iteration 655: trace = 2.449293711268567 (7.94851e-07% change)
linmin: converged after 5 iterations.
iteration 656: trace = 2.449293707029274 (1.73082e-07% change)
large trace change predicted (5.57407e-07%)
linmin: converged after 3 iterations.
iteration 657: trace = 2.449293693375604 (5.57453e-07% change)
linmin: converged after 4 iterations.
iteration 658: trace = 2.449293681237842 (4.95562e-07% change)
linmin: converged after 9 iterations.
iteration 659: trace = 2.449293673098385 (3.32319e-07% change)
linmin: converged after 14 iterations.
iteration 660: trace = 2.449293670953859 (8.75569e-08% change)
large trace change predicted (2.81185e-07%)
linmin: converged after 16 iterations.
iteration 661: trace = 2.449293664066693 (2.8119e-07% change)
linmin: converged after 2 iterations.
iteration 662: trace = 2.449293657307526 (2.75964e-07% change)
linmin: converged after 4 iterations.
iteration 663: trace = 2.449293655285726 (8.25463e-08% change)
large trace change predicted (3.99534e-07%)
linmin: converged after 3 iterations.
iteration 664: trace = 2.449293645499768 (3.99542e-07% change)
linmin: converged after 4 iterations.
iteration 665: trace = 2.449293635575063 (4.05207e-07% change)
linmin: converged after 18 iterations.
iteration 666: trace = 2.44929363169782 (1.583e-07% change)
large trace change predicted (6.12079e-07%)
linmin: converged after 15 iterations.
iteration 667: trace = 2.449293616706415 (6.12071e-07% change)
linmin: converged after 7 iterations.
iteration 668: trace = 2.449293607473717 (3.76953e-07% change)
linmin: converged after 5 iterations.
iteration 669: trace = 2.449293601686425 (2.36284e-07% change)
linmin: converged after 3 iterations.
iteration 670: trace = 2.449293592741131 (3.65219e-07% change)
linmin: converged after 10 iterations.
iteration 671: trace = 2.449293586156217 (2.6885e-07% change)
linmin: converged after 6 iterations.
iteration 672: trace = 2.449293577520223 (3.52591e-07% change)
linmin: converged after 4 iterations.
iteration 673: trace = 2.449293563832737 (5.58834e-07% change)
linmin: converged after 4 iterations.
iteration 674: trace = 2.449293555680868 (3.32825e-07% change)
linmin: converged after 5 iterations.
iteration 675: trace = 2.44929355059821 (2.07515e-07% change)
linmin: converged after 15 iterations.
iteration 676: trace = 2.449293540668462 (4.05413e-07% change)
linmin: converged after 7 iterations.
iteration 677: trace = 2.449293532501581 (3.33438e-07% change)
linmin: converged after 4 iterations.
iteration 678: trace = 2.449293529614579 (1.17871e-07% change)
large trace change predicted (2.77486e-07%)
linmin: converged after 13 iterations.
iteration 679: trace = 2.449293522818142 (2.77486e-07% change)
linmin: converged after 3 iterations.
iteration 680: trace = 2.44929351758496 (2.13661e-07% change)
linmin: converged after 4 iterations.
iteration 681: trace = 2.449293514767307 (1.15039e-07% change)
large trace change predicted (2.89179e-07%)
linmin: converged after 3 iterations.
iteration 682: trace = 2.449293507684474 (2.89179e-07% change)
linmin: converged after 19 iterations.
iteration 683: trace = 2.449293499046686 (3.52664e-07% change)
linmin: converged after 4 iterations.
iteration 684: trace = 2.449293496326315 (1.11068e-07% change)
large trace change predicted (3.85903e-07%)
linmin: converged after 14 iterations.
iteration 685: trace = 2.449293486874536 (3.85898e-07% change)
linmin: converged after 4 iterations.
iteration 686: trace = 2.449293479702585 (2.92817e-07% change)
linmin: converged after 6 iterations.
iteration 687: trace = 2.449293476612279 (1.26171e-07% change)
large trace change predicted (4.75683e-07%)
linmin: converged after 9 iterations.
iteration 688: trace = 2.44929346496158 (4.75676e-07% change)
linmin: converged after 19 iterations.
iteration 689: trace = 2.449293455826329 (3.72975e-07% change)
linmin: converged after 4 iterations.
iteration 690: trace = 2.449293453603701 (9.07457e-08% change)
large trace change predicted (2.01899e-07%)
linmin: converged after 3 iterations.
iteration 691: trace = 2.44929344865865 (2.01897e-07% change)
linmin: converged after 5 iterations.
iteration 692: trace = 2.449293441017769 (3.11963e-07% change)
linmin: converged after 14 iterations.
iteration 693: trace = 2.449293439312106 (6.9639e-08% change)
large trace change predicted (3.88014e-07%)
linmin: converged after 13 iterations.
iteration 694: trace = 2.449293429808462 (3.88016e-07% change)
linmin: converged after 4 iterations.
iteration 695: trace = 2.449293423730869 (2.48137e-07% change)
linmin: converged after 7 iterations.
iteration 696: trace = 2.449293420629979 (1.26603e-07% change)
linmin: converged after 3 iterations.
iteration 697: trace = 2.449293415912063 (1.92624e-07% change)
linmin: converged after 4 iterations.
iteration 698: trace = 2.449293412433326 (1.4203e-07% change)
linmin: converged after 6 iterations.
iteration 699: trace = 2.449293411750081 (2.78956e-08% change)
resetting CG direction...
linmin: converged after 8 iterations.
iteration 700: trace = 2.449293411140338 (2.48946e-08% change)
large trace change predicted (8.87114e-08%)
linmin: converged after 5 iterations.
iteration 701: trace = 2.449293408967532 (8.87115e-08% change)
linmin: converged after 7 iterations.
iteration 702: trace = 2.449293405174838 (1.54849e-07% change)
linmin: converged after 8 iterations.
iteration 703: trace = 2.449293402660708 (1.02647e-07% change)
large trace change predicted (2.29789e-07%)
linmin: converged after 7 iterations.
iteration 704: trace = 2.449293397032493 (2.29789e-07% change)
linmin: converged after 4 iterations.
iteration 705: trace = 2.449293389321189 (3.14838e-07% change)
linmin: converged after 4 iterations.
iteration 706: trace = 2.449293387170937 (8.77907e-08% change)
large trace change predicted (2.75883e-07%)
linmin: converged after 13 iterations.
iteration 707: trace = 2.449293380413677 (2.75886e-07% change)
linmin: converged after 4 iterations.
iteration 708: trace = 2.449293376740355 (1.49975e-07% change)
linmin: converged after 4 iterations.
iteration 709: trace = 2.449293374438893 (9.39643e-08% change)
large trace change predicted (2.3725e-07%)
linmin: converged after 13 iterations.
iteration 710: trace = 2.449293368627877 (2.37253e-07% change)
linmin: converged after 5 iterations.
iteration 711: trace = 2.449293361874114 (2.75743e-07% change)
linmin: converged after 4 iterations.
iteration 712: trace = 2.449293358047964 (1.56214e-07% change)
linmin: converged after 5 iterations.
iteration 713: trace = 2.449293350432366 (3.1093e-07% change)
linmin: converged after 2 iterations.
iteration 714: trace = 2.449293343172245 (2.96417e-07% change)
linmin: converged after 4 iterations.
iteration 715: trace = 2.449293341495746 (6.84483e-08% change)
large trace change predicted (3.32879e-07%)
linmin: converged after 5 iterations.
iteration 716: trace = 2.449293333342458 (3.32883e-07% change)
linmin: converged after 4 iterations.
iteration 717: trace = 2.449293327903435 (2.22065e-07% change)
linmin: converged after 5 iterations.
iteration 718: trace = 2.449293326472478 (5.84233e-08% change)
large trace change predicted (1.81779e-07%)
linmin: converged after 8 iterations.
iteration 719: trace = 2.449293322020201 (1.81778e-07% change)
linmin: converged after 4 iterations.
iteration 720: trace = 2.449293317101661 (2.00815e-07% change)
linmin: converged after 4 iterations.
iteration 721: trace = 2.449293315498709 (6.54455e-08% change)
large trace change predicted (2.28961e-07%)
linmin: converged after 4 iterations.
iteration 722: trace = 2.449293309890793 (2.28961e-07% change)
linmin: converged after 4 iterations.
iteration 723: trace = 2.449293304846273 (2.05958e-07% change)
linmin: converged after 6 iterations.
iteration 724: trace = 2.449293302406054 (9.96295e-08% change)
large trace change predicted (3.20586e-07%)
linmin: converged after 4 iterations.
iteration 725: trace = 2.449293294553936 (3.20587e-07% change)
linmin: converged after 16 iterations.
iteration 726: trace = 2.449293286065541 (3.46565e-07% change)
linmin: converged after 7 iterations.
iteration 727: trace = 2.449293284358994 (6.96751e-08% change)
large trace change predicted (2.39705e-07%)
linmin: converged after 6 iterations.
iteration 728: trace = 2.449293278487862 (2.39707e-07% change)
linmin: converged after 2 iterations.
iteration 729: trace = 2.449293271830818 (2.71794e-07% change)
linmin: converged after 4 iterations.
iteration 730: trace = 2.449293269646035 (8.92005e-08% change)
large trace change predicted (1.99113e-07%)
linmin: converged after 9 iterations.
iteration 731: trace = 2.44929326476915 (1.99114e-07% change)
linmin: converged after 6 iterations.
iteration 732: trace = 2.449293256929876 (3.20063e-07% change)
linmin: converged after 4 iterations.
iteration 733: trace = 2.449293255017268 (7.80881e-08% change)
large trace change predicted (3.02027e-07%)
linmin: converged after 4 iterations.
iteration 734: trace = 2.449293247619684 (3.02029e-07% change)
linmin: converged after 7 iterations.
iteration 735: trace = 2.449293242918402 (1.91944e-07% change)
linmin: converged after 4 iterations.
iteration 736: trace = 2.449293239792965 (1.27606e-07% change)
linmin: converged after 4 iterations.
iteration 737: trace = 2.449293237127113 (1.08842e-07% change)
linmin: converged after 13 iterations.
iteration 738: trace = 2.449293233197696 (1.60431e-07% change)
linmin: converged after 4 iterations.
iteration 739: trace = 2.449293232153095 (4.26491e-08% change)
large trace change predicted (1.24118e-07%)
linmin: converged after 11 iterations.
iteration 740: trace = 2.449293229113121 (1.24116e-07% change)
linmin: converged after 4 iterations.
iteration 741: trace = 2.449293223275536 (2.38338e-07% change)
linmin: converged after 5 iterations.
iteration 742: trace = 2.449293215989949 (2.97457e-07% change)
linmin: converged after 5 iterations.
iteration 743: trace = 2.449293212828947 (1.29058e-07% change)
large trace change predicted (3.29746e-07%)
linmin: converged after 5 iterations.
iteration 744: trace = 2.449293204752885 (3.2973e-07% change)
linmin: converged after 4 iterations.
iteration 745: trace = 2.449293198921186 (2.38097e-07% change)
linmin: converged after 4 iterations.
iteration 746: trace = 2.449293195926412 (1.22271e-07% change)
large trace change predicted (3.28784e-07%)
linmin: converged after 4 iterations.
iteration 747: trace = 2.449293187873554 (3.28783e-07% change)
linmin: converged after 10 iterations.
iteration 748: trace = 2.44929318048013 (3.01859e-07% change)
linmin: converged after 7 iterations.
iteration 749: trace = 2.449293176783148 (1.50941e-07% change)
large trace change predicted (3.41874e-07%)
linmin: converged after 5 iterations.
iteration 750: trace = 2.449293168409311 (3.41888e-07% change)
linmin: converged after 6 iterations.
iteration 751: trace = 2.449293161358077 (2.87889e-07% change)
linmin: converged after 4 iterations.
iteration 752: trace = 2.449293158795709 (1.04617e-07% change)
large trace change predicted (3.3662e-07%)
linmin: converged after 5 iterations.
iteration 753: trace = 2.449293150550567 (3.36634e-07% change)
linmin: converged after 15 iterations.
iteration 754: trace = 2.449293146104317 (1.81532e-07% change)
linmin: converged after 17 iterations.
iteration 755: trace = 2.449293142578431 (1.43955e-07% change)
linmin: converged after 7 iterations.
iteration 756: trace = 2.449293137636132 (2.01785e-07% change)
linmin: converged after 3 iterations.
iteration 757: trace = 2.449293134960425 (1.09244e-07% change)
linmin: converged after 5 iterations.
iteration 758: trace = 2.449293133890114 (4.36988e-08% change)
large trace change predicted (2.12186e-07%)
linmin: converged after 8 iterations.
iteration 759: trace = 2.449293128692931 (2.12191e-07% change)
linmin: converged after 2 iterations.
iteration 760: trace = 2.44929312483052 (1.57695e-07% change)
linmin: converged after 4 iterations.
iteration 761: trace = 2.449293122817416 (8.21912e-08% change)
large trace change predicted (2.14328e-07%)
linmin: converged after 18 iterations.
iteration 762: trace = 2.449293117567795 (2.14332e-07% change)
linmin: converged after 5 iterations.
iteration 763: trace = 2.449293109478727 (3.30261e-07% change)
linmin: converged after 16 iterations.
iteration 764: trace = 2.449293107303254 (8.88204e-08% change)
large trace change predicted (2.89887e-07%)
linmin: converged after 7 iterations.
iteration 765: trace = 2.449293100203215 (2.89881e-07% change)
linmin: converged after 13 iterations.
iteration 766: trace = 2.449293092678574 (3.07217e-07% change)
linmin: converged after 4 iterations.
iteration 767: trace = 2.449293089356407 (1.35638e-07% change)
large trace change predicted (4.10872e-07%)
linmin: converged after 4 iterations.
iteration 768: trace = 2.449293079292906 (4.10874e-07% change)
large trace change predicted (1.88903e-06%)
linmin: converged after 4 iterations.
iteration 769: trace = 2.449293033020493 (1.88922e-06% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 770: trace = 2.449293017859338 (6.19001e-07% change)
linmin: converged after 4 iterations.
iteration 771: trace = 2.449292997335465 (8.37951e-07% change)
linmin: converged after 3 iterations.
iteration 772: trace = 2.449292990055918 (2.9721e-07% change)
linmin: converged after 3 iterations.
iteration 773: trace = 2.449292986875904 (1.29834e-07% change)
linmin: converged after 6 iterations.
iteration 774: trace = 2.44929298194117 (2.01476e-07% change)
linmin: converged after 2 iterations.
iteration 775: trace = 2.449292977513544 (1.80772e-07% change)
linmin: converged after 4 iterations.
iteration 776: trace = 2.449292975985296 (6.23955e-08% change)
large trace change predicted (1.40361e-07%)
linmin: converged after 5 iterations.
iteration 777: trace = 2.449292972547426 (1.40362e-07% change)
linmin: converged after 6 iterations.
iteration 778: trace = 2.449292970281747 (9.25034e-08% change)
linmin: converged after 4 iterations.
iteration 779: trace = 2.449292968669508 (6.58247e-08% change)
linmin: converged after 4 iterations.
iteration 780: trace = 2.449292965488973 (1.29855e-07% change)
linmin: converged after 4 iterations.
iteration 781: trace = 2.449292963452461 (8.31469e-08% change)
linmin: converged after 4 iterations.
iteration 782: trace = 2.449292962030898 (5.80397e-08% change)
linmin: converged after 5 iterations.
iteration 783: trace = 2.449292960401037 (6.65441e-08% change)
linmin: converged after 12 iterations.
iteration 784: trace = 2.44929295936435 (4.2326e-08% change)
linmin: converged after 3 iterations.
iteration 785: trace = 2.449292957887395 (6.03013e-08% change)
large trace change predicted (1.64174e-07%)
linmin: converged after 7 iterations.
iteration 786: trace = 2.449292953866421 (1.64169e-07% change)
linmin: converged after 6 iterations.
iteration 787: trace = 2.449292952324942 (6.29357e-08% change)
linmin: converged after 22 iterations.
iteration 788: trace = 2.449292949756055 (1.04883e-07% change)
linmin: converged after 4 iterations.
iteration 789: trace = 2.449292946340921 (1.39433e-07% change)
linmin: converged after 12 iterations.
iteration 790: trace = 2.449292943466925 (1.1734e-07% change)
linmin: converged after 4 iterations.
iteration 791: trace = 2.449292941449611 (8.23631e-08% change)
large trace change predicted (1.76286e-07%)
linmin: converged after 4 iterations.
iteration 792: trace = 2.449292937131886 (1.76285e-07% change)
linmin: converged after 6 iterations.
iteration 793: trace = 2.44929293471257 (9.87761e-08% change)
linmin: converged after 4 iterations.
iteration 794: trace = 2.449292933570916 (4.66116e-08% change)
large trace change predicted (1.0952e-07%)
linmin: converged after 16 iterations.
iteration 795: trace = 2.449292930888411 (1.09522e-07% change)
linmin: converged after 4 iterations.
iteration 796: trace = 2.449292928472271 (9.86465e-08% change)
linmin: converged after 9 iterations.
iteration 797: trace = 2.44929292752214 (3.87921e-08% change)
large trace change predicted (1.29005e-07%)
linmin: converged after 5 iterations.
iteration 798: trace = 2.449292924362227 (1.29013e-07% change)
linmin: converged after 4 iterations.
iteration 799: trace = 2.449292922608704 (7.1593e-08% change)
linmin: converged after 4 iterations.
iteration 800: trace = 2.449292921987183 (2.53755e-08% change)
linmin: converged after 4 iterations.
iteration 801: trace = 2.449292920856802 (4.61513e-08% change)
linmin: converged after 12 iterations.
iteration 802: trace = 2.449292919242745 (6.58989e-08% change)
linmin: converged after 4 iterations.
iteration 803: trace = 2.449292918906371 (1.37335e-08% change)
large trace change predicted (5.3093e-08%)
linmin: converged after 13 iterations.
iteration 804: trace = 2.449292917605954 (5.30936e-08% change)
linmin: converged after 9 iterations.
iteration 805: trace = 2.449292915746954 (7.58995e-08% change)
linmin: converged after 3 iterations.
iteration 806: trace = 2.449292915173552 (2.34109e-08% change)
large trace change predicted (1.23819e-07%)
linmin: converged after 4 iterations.
iteration 807: trace = 2.449292912140874 (1.23819e-07% change)
linmin: converged after 4 iterations.
iteration 808: trace = 2.449292909165388 (1.21483e-07% change)
linmin: converged after 3 iterations.
iteration 809: trace = 2.449292908355971 (3.3047e-08% change)
linmin: converged after 8 iterations.
iteration 810: trace = 2.449292907006068 (5.5114e-08% change)
linmin: converged after 4 iterations.
iteration 811: trace = 2.449292904765311 (9.14859e-08% change)
linmin: converged after 4 iterations.
iteration 812: trace = 2.449292904283508 (1.96711e-08% change)
large trace change predicted (7.5548e-08%)
linmin: converged after 6 iterations.
iteration 813: trace = 2.449292902433123 (7.55477e-08% change)
linmin: converged after 6 iterations.
iteration 814: trace = 2.449292900882532 (6.33077e-08% change)
linmin: converged after 4 iterations.
iteration 815: trace = 2.449292900154227 (2.97353e-08% change)
large trace change predicted (8.10514e-08%)
linmin: converged after 11 iterations.
iteration 816: trace = 2.44929289816905 (8.1051e-08% change)
linmin: converged after 4 iterations.
iteration 817: trace = 2.449292896565611 (6.54654e-08% change)
linmin: converged after 5 iterations.
iteration 818: trace = 2.449292896116787 (1.83246e-08% change)
large trace change predicted (6.52536e-08%)
linmin: converged after 4 iterations.
iteration 819: trace = 2.449292894518531 (6.52538e-08% change)
linmin: converged after 4 iterations.
iteration 820: trace = 2.449292893654204 (3.52888e-08% change)
linmin: converged after 6 iterations.
iteration 821: trace = 2.449292893082696 (2.33336e-08% change)
linmin: converged after 6 iterations.
iteration 822: trace = 2.449292892102284 (4.00284e-08% change)
linmin: converged after 6 iterations.
iteration 823: trace = 2.44929289059465 (6.15539e-08% change)
linmin: converged after 5 iterations.
iteration 824: trace = 2.449292890180633 (1.69035e-08% change)
large trace change predicted (6.98948e-08%)
linmin: converged after 4 iterations.
iteration 825: trace = 2.44929288846872 (6.98942e-08% change)
linmin: converged after 4 iterations.
iteration 826: trace = 2.449292887120091 (5.5062e-08% change)
linmin: converged after 6 iterations.
iteration 827: trace = 2.449292885710225 (5.75621e-08% change)
linmin: converged after 2 iterations.
iteration 828: trace = 2.449292884715976 (4.05933e-08% change)
large trace change predicted (8.82631e-08%)
linmin: converged after 6 iterations.
iteration 829: trace = 2.449292882554172 (8.82624e-08% change)
linmin: converged after 7 iterations.
iteration 830: trace = 2.449292882047176 (2.06997e-08% change)
linmin: converged after 16 iterations.
iteration 831: trace = 2.44929288114976 (3.66398e-08% change)
linmin: converged after 16 iterations.
iteration 832: trace = 2.449292879853422 (5.2927e-08% change)
linmin: converged after 7 iterations.
iteration 833: trace = 2.449292879303432 (2.24551e-08% change)
large trace change predicted (4.5898e-08%)
linmin: converged after 4 iterations.
iteration 834: trace = 2.449292878179263 (4.58977e-08% change)
linmin: converged after 8 iterations.
iteration 835: trace = 2.449292876556131 (6.62694e-08% change)
linmin: converged after 4 iterations.
iteration 836: trace = 2.449292875733296 (3.35948e-08% change)
linmin: converged after 4 iterations.
iteration 837: trace = 2.449292875150569 (2.37917e-08% change)
linmin: converged after 4 iterations.
iteration 838: trace = 2.449292874393678 (3.09024e-08% change)
linmin: converged after 3 iterations.
iteration 839: trace = 2.449292874080253 (1.27965e-08% change)
resetting CG direction...
linmin: converged after 21 iterations.
iteration 840: trace = 2.449292873967415 (4.60697e-09% change)
large trace change predicted (1.69055e-08%)
linmin: converged after 17 iterations.
iteration 841: trace = 2.44929287355335 (1.69055e-08% change)
linmin: converged after 4 iterations.
iteration 842: trace = 2.44929287306852 (1.97947e-08% change)
linmin: converged after 7 iterations.
iteration 843: trace = 2.449292872508723 (2.28555e-08% change)
large trace change predicted (4.9977e-08%)
linmin: converged after 9 iterations.
iteration 844: trace = 2.449292871284631 (4.99774e-08% change)
linmin: converged after 21 iterations.
iteration 845: trace = 2.449292870579088 (2.8806e-08% change)
linmin: converged after 13 iterations.
iteration 846: trace = 2.449292869672021 (3.70338e-08% change)
linmin: converged after 4 iterations.
iteration 847: trace = 2.449292868796988 (3.57259e-08% change)
linmin: converged after 6 iterations.
iteration 848: trace = 2.449292868026058 (3.14756e-08% change)
linmin: converged after 5 iterations.
iteration 849: trace = 2.449292867457215 (2.32248e-08% change)
large trace change predicted (4.70101e-08%)
linmin: converged after 10 iterations.
iteration 850: trace = 2.449292866305782 (4.70108e-08% change)
linmin: converged after 8 iterations.
iteration 851: trace = 2.449292865714547 (2.4139e-08% change)
large trace change predicted (6.01496e-08%)
linmin: converged after 12 iterations.
iteration 852: trace = 2.449292864241292 (6.01502e-08% change)
linmin: converged after 4 iterations.
iteration 853: trace = 2.449292863098565 (4.66554e-08% change)
linmin: converged after 4 iterations.
iteration 854: trace = 2.449292862614544 (1.97616e-08% change)
large trace change predicted (3.99072e-08%)
linmin: converged after 4 iterations.
iteration 855: trace = 2.449292861637095 (3.99074e-08% change)
linmin: converged after 10 iterations.
iteration 856: trace = 2.449292860121806 (6.18664e-08% change)
linmin: converged after 16 iterations.
iteration 857: trace = 2.449292859769265 (1.43936e-08% change)
large trace change predicted (3.14806e-08%)
linmin: converged after 4 iterations.
iteration 858: trace = 2.449292858998214 (3.14805e-08% change)
linmin: converged after 4 iterations.
iteration 859: trace = 2.449292858159179 (3.42562e-08% change)
linmin: converged after 4 iterations.
iteration 860: trace = 2.449292857763835 (1.61411e-08% change)
linmin: converged after 8 iterations.
iteration 861: trace = 2.449292857082745 (2.78076e-08% change)
linmin: converged after 4 iterations.
iteration 862: trace = 2.44929285597718 (4.51381e-08% change)
linmin: converged after 4 iterations.
iteration 863: trace = 2.449292855555715 (1.72077e-08% change)
linmin: converged after 16 iterations.
iteration 864: trace = 2.449292854812911 (3.03273e-08% change)
large trace change predicted (6.69542e-08%)
linmin: converged after 4 iterations.
iteration 865: trace = 2.449292853173 (6.69545e-08% change)
linmin: converged after 6 iterations.
iteration 866: trace = 2.449292851727355 (5.9023e-08% change)
linmin: converged after 22 iterations.
iteration 867: trace = 2.449292851389133 (1.3809e-08% change)
large trace change predicted (4.38061e-08%)
linmin: converged after 9 iterations.
iteration 868: trace = 2.449292850316193 (4.38061e-08% change)
linmin: converged after 3 iterations.
iteration 869: trace = 2.449292849136188 (4.81774e-08% change)
linmin: converged after 3 iterations.
iteration 870: trace = 2.449292848822578 (1.28041e-08% change)
large trace change predicted (4.5316e-08%)
linmin: converged after 6 iterations.
iteration 871: trace = 2.449292847712644 (4.53165e-08% change)
linmin: converged after 4 iterations.
iteration 872: trace = 2.449292846443147 (5.18312e-08% change)
linmin: converged after 6 iterations.
iteration 873: trace = 2.449292845748386 (2.83658e-08% change)
linmin: converged after 4 iterations.
iteration 874: trace = 2.449292845007645 (3.0243e-08% change)
linmin: converged after 8 iterations.
iteration 875: trace = 2.449292843850388 (4.72486e-08% change)
linmin: converged after 4 iterations.
iteration 876: trace = 2.449292843117773 (2.99113e-08% change)
linmin: converged after 3 iterations.
iteration 877: trace = 2.449292842599656 (2.11537e-08% change)
linmin: converged after 4 iterations.
iteration 878: trace = 2.449292841835009 (3.12191e-08% change)
linmin: converged after 24 iterations.
iteration 879: trace = 2.449292841435062 (1.63291e-08% change)
linmin: converged after 4 iterations.
iteration 880: trace = 2.449292841175833 (1.05839e-08% change)
large trace change predicted (4.84804e-08%)
linmin: converged after 4 iterations.
iteration 881: trace = 2.449292839988434 (4.84793e-08% change)
linmin: converged after 6 iterations.
iteration 882: trace = 2.449292839130921 (3.50106e-08% change)
linmin: converged after 4 iterations.
iteration 883: trace = 2.449292838172862 (3.91157e-08% change)
linmin: converged after 4 iterations.
iteration 884: trace = 2.4492928368989 (5.20135e-08% change)
linmin: converged after 6 iterations.
iteration 885: trace = 2.449292835283679 (6.59464e-08% change)
linmin: converged after 4 iterations.
iteration 886: trace = 2.449292834895996 (1.58284e-08% change)
large trace change predicted (6.78066e-08%)
linmin: converged after 6 iterations.
iteration 887: trace = 2.449292833235237 (6.78056e-08% change)
linmin: converged after 7 iterations.
iteration 888: trace = 2.449292832369222 (3.53578e-08% change)
linmin: converged after 3 iterations.
iteration 889: trace = 2.449292831384404 (4.02083e-08% change)
linmin: converged after 4 iterations.
iteration 890: trace = 2.449292830191172 (4.87174e-08% change)
linmin: converged after 4 iterations.
iteration 891: trace = 2.449292829316749 (3.5701e-08% change)
linmin: converged after 4 iterations.
iteration 892: trace = 2.449292828219289 (4.48072e-08% change)
linmin: converged after 2 iterations.
iteration 893: trace = 2.449292826985967 (5.03542e-08% change)
linmin: converged after 15 iterations.
iteration 894: trace = 2.449292826584196 (1.64036e-08% change)
large trace change predicted (4.22061e-08%)
linmin: converged after 4 iterations.
iteration 895: trace = 2.449292825550431 (4.22066e-08% change)
linmin: converged after 4 iterations.
iteration 896: trace = 2.449292824858348 (2.82565e-08% change)
linmin: converged after 4 iterations.
iteration 897: trace = 2.449292824362147 (2.0259e-08% change)
linmin: converged after 9 iterations.
iteration 898: trace = 2.449292824113142 (1.01664e-08% change)
large trace change predicted (3.98197e-08%)
linmin: converged after 5 iterations.
iteration 899: trace = 2.449292823137826 (3.98203e-08% change)
linmin: converged after 4 iterations.
iteration 900: trace = 2.449292822549128 (2.40354e-08% change)
linmin: converged after 3 iterations.
iteration 901: trace = 2.449292822024046 (2.14381e-08% change)
linmin: converged after 2 iterations.
iteration 902: trace = 2.449292821063121 (3.92327e-08% change)
linmin: converged after 5 iterations.
iteration 903: trace = 2.44929281949104 (6.41851e-08% change)
linmin: converged after 4 iterations.
iteration 904: trace = 2.449292819103697 (1.58145e-08% change)
large trace change predicted (6.34558e-08%)
linmin: converged after 4 iterations.
iteration 905: trace = 2.449292817549491 (6.34553e-08% change)
linmin: converged after 6 iterations.
iteration 906: trace = 2.449292816251781 (5.29831e-08% change)
linmin: converged after 4 iterations.
iteration 907: trace = 2.449292815514756 (3.00913e-08% change)
large trace change predicted (9.99597e-08%)
linmin: converged after 6 iterations.
iteration 908: trace = 2.449292813066457 (9.99594e-08% change)
large trace change predicted (2.32544e-07%)
linmin: converged after 2 iterations.
iteration 909: trace = 2.44929280737074 (2.32545e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 910: trace = 2.449292804767744 (1.06275e-07% change)
linmin: converged after 2 iterations.
iteration 911: trace = 2.449292802463312 (9.40856e-08% change)
linmin: converged after 4 iterations.
iteration 912: trace = 2.449292800963751 (6.12242e-08% change)
linmin: converged after 4 iterations.
iteration 913: trace = 2.4492928003545 (2.48746e-08% change)
linmin: converged after 4 iterations.
iteration 914: trace = 2.449292799184187 (4.77817e-08% change)
linmin: converged after 12 iterations.
iteration 915: trace = 2.449292798406269 (3.17609e-08% change)
linmin: converged after 8 iterations.
iteration 916: trace = 2.449292798101766 (1.24323e-08% change)
large trace change predicted (2.81206e-08%)
linmin: converged after 5 iterations.
iteration 917: trace = 2.449292797412998 (2.81211e-08% change)
linmin: converged after 5 iterations.
iteration 918: trace = 2.449292796953241 (1.8771e-08% change)
linmin: converged after 24 iterations.
iteration 919: trace = 2.449292796599247 (1.44529e-08% change)
linmin: converged after 4 iterations.
iteration 920: trace = 2.449292796051903 (2.2347e-08% change)
linmin: converged after 4 iterations.
iteration 921: trace = 2.449292795842403 (8.55347e-09% change)
linmin: converged after 3 iterations.
iteration 922: trace = 2.449292795507014 (1.36933e-08% change)
linmin: converged after 4 iterations.
iteration 923: trace = 2.449292795126459 (1.55373e-08% change)
linmin: converged after 4 iterations.
iteration 924: trace = 2.449292794644464 (1.96789e-08% change)
linmin: converged after 17 iterations.
iteration 925: trace = 2.449292794445311 (8.13106e-09% change)
large trace change predicted (2.50347e-08%)
linmin: converged after 4 iterations.
iteration 926: trace = 2.449292793832144 (2.50344e-08% change)
linmin: converged after 23 iterations.
iteration 927: trace = 2.44929279346304 (1.50698e-08% change)
linmin: converged after 5 iterations.
iteration 928: trace = 2.449292793159334 (1.23997e-08% change)
large trace change predicted (3.61892e-08%)
linmin: converged after 7 iterations.
iteration 929: trace = 2.449292792272968 (3.61886e-08% change)
linmin: converged after 3 iterations.
iteration 930: trace = 2.449292791951839 (1.31111e-08% change)
linmin: converged after 5 iterations.
iteration 931: trace = 2.449292791582293 (1.50879e-08% change)
linmin: converged after 4 iterations.
iteration 932: trace = 2.449292790908833 (2.74961e-08% change)
linmin: converged after 4 iterations.
iteration 933: trace = 2.449292790287225 (2.53791e-08% change)
linmin: converged after 16 iterations.
iteration 934: trace = 2.449292790149227 (5.6342e-09% change)
large trace change predicted (2.59762e-08%)
linmin: converged after 4 iterations.
iteration 935: trace = 2.449292789512982 (2.59767e-08% change)
linmin: converged after 4 iterations.
iteration 936: trace = 2.449292788960277 (2.25659e-08% change)
linmin: converged after 4 iterations.
iteration 937: trace = 2.449292788817194 (5.84182e-09% change)
large trace change predicted (1.65993e-08%)
linmin: converged after 4 iterations.
iteration 938: trace = 2.449292788410628 (1.65993e-08% change)
linmin: converged after 4 iterations.
iteration 939: trace = 2.449292788061161 (1.42681e-08% change)
linmin: converged after 5 iterations.
iteration 940: trace = 2.449292787904088 (6.41298e-09% change)
linmin: converged after 4 iterations.
iteration 941: trace = 2.449292787727407 (7.21355e-09% change)
linmin: converged after 5 iterations.
iteration 942: trace = 2.449292787440076 (1.17312e-08% change)
linmin: converged after 6 iterations.
iteration 943: trace = 2.449292787216697 (9.12013e-09% change)
linmin: converged after 14 iterations.
iteration 944: trace = 2.449292787086417 (5.31911e-09% change)
large trace change predicted (2.13184e-08%)
linmin: converged after 6 iterations.
iteration 945: trace = 2.449292786564272 (2.13182e-08% change)
linmin: converged after 6 iterations.
iteration 946: trace = 2.449292786386931 (7.24049e-09% change)
large trace change predicted (2.13741e-08%)
linmin: converged after 6 iterations.
iteration 947: trace = 2.449292785863411 (2.13743e-08% change)
linmin: converged after 2 iterations.
iteration 948: trace = 2.449292785444216 (1.71149e-08% change)
linmin: converged after 4 iterations.
iteration 949: trace = 2.449292785222719 (9.04329e-09% change)
linmin: converged after 6 iterations.
iteration 950: trace = 2.449292784831595 (1.59689e-08% change)
linmin: converged after 4 iterations.
iteration 951: trace = 2.449292784342337 (1.99755e-08% change)
linmin: converged after 4 iterations.
iteration 952: trace = 2.449292784199534 (5.8304e-09% change)
linmin: converged after 17 iterations.
iteration 953: trace = 2.449292783988332 (8.62297e-09% change)
linmin: converged after 5 iterations.
iteration 954: trace = 2.449292783654258 (1.36396e-08% change)
linmin: converged after 4 iterations.
iteration 955: trace = 2.449292783500174 (6.29095e-09% change)
linmin: converged after 2 iterations.
iteration 956: trace = 2.449292783208447 (1.19106e-08% change)
linmin: converged after 6 iterations.
iteration 957: trace = 2.449292782947198 (1.06663e-08% change)
linmin: converged after 4 iterations.
iteration 958: trace = 2.449292782853326 (3.8326e-09% change)
large trace change predicted (8.90601e-09%)
linmin: converged after 5 iterations.
iteration 959: trace = 2.449292782635202 (8.9056e-09% change)
linmin: converged after 21 iterations.
iteration 960: trace = 2.449292782448499 (7.62273e-09% change)
linmin: converged after 15 iterations.
iteration 961: trace = 2.449292782248253 (8.17567e-09% change)
linmin: converged after 16 iterations.
iteration 962: trace = 2.449292782146571 (4.15146e-09% change)
large trace change predicted (1.25185e-08%)
linmin: converged after 4 iterations.
iteration 963: trace = 2.449292781839952 (1.25187e-08% change)
linmin: converged after 12 iterations.
iteration 964: trace = 2.4492927815918 (1.01315e-08% change)
linmin: converged after 6 iterations.
iteration 965: trace = 2.449292781489148 (4.19109e-09% change)
large trace change predicted (1.03353e-08%)
linmin: converged after 13 iterations.
iteration 966: trace = 2.449292781236014 (1.0335e-08% change)
linmin: converged after 17 iterations.
iteration 967: trace = 2.449292780804872 (1.76027e-08% change)
linmin: converged after 27 iterations.
iteration 968: trace = 2.449292780674483 (5.32354e-09% change)
large trace change predicted (1.3142e-08%)
linmin: converged after 4 iterations.
iteration 969: trace = 2.449292780352598 (1.31419e-08% change)
linmin: converged after 22 iterations.
iteration 970: trace = 2.449292780049838 (1.23611e-08% change)
linmin: converged after 5 iterations.
iteration 971: trace = 2.449292779979538 (2.87022e-09% change)
large trace change predicted (1.13314e-08%)
linmin: converged after 4 iterations.
iteration 972: trace = 2.449292779702009 (1.1331e-08% change)
linmin: converged after 19 iterations.
iteration 973: trace = 2.449292779538785 (6.6641e-09% change)
linmin: converged after 5 iterations.
iteration 974: trace = 2.449292779394868 (5.87587e-09% change)
linmin: converged after 21 iterations.
iteration 975: trace = 2.449292779154436 (9.81639e-09% change)
linmin: converged after 4 iterations.
iteration 976: trace = 2.449292778961834 (7.86359e-09% change)
linmin: converged after 8 iterations.
iteration 977: trace = 2.449292778861067 (4.11411e-09% change)
linmin: converged after 5 iterations.
iteration 978: trace = 2.449292778715018 (5.96292e-09% change)
linmin: converged after 3 iterations.
iteration 979: trace = 2.449292778660124 (2.24121e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 980: trace = 2.449292778642429 (7.22461e-10% change)
large trace change predicted (1.8637e-09%)
linmin: converged after 10 iterations.
iteration 981: trace = 2.449292778596778 (1.86383e-09% change)
large trace change predicted (4.79827e-09%)
linmin: converged after 16 iterations.
iteration 982: trace = 2.449292778479253 (4.79833e-09% change)
linmin: converged after 5 iterations.
iteration 983: trace = 2.449292778403906 (3.07625e-09% change)
large trace change predicted (7.38274e-09%)
linmin: converged after 7 iterations.
iteration 984: trace = 2.449292778223077 (7.38293e-09% change)
linmin: converged after 3 iterations.
iteration 985: trace = 2.449292778008108 (8.77676e-09% change)
linmin: converged after 4 iterations.
iteration 986: trace = 2.449292777899364 (4.43982e-09% change)
linmin: converged after 4 iterations.
iteration 987: trace = 2.44929277773461 (6.72661e-09% change)
linmin: converged after 4 iterations.
iteration 988: trace = 2.44929277748362 (1.02474e-08% change)
linmin: converged after 16 iterations.
iteration 989: trace = 2.449292777430113 (2.18461e-09% change)
large trace change predicted (9.29698e-09%)
linmin: converged after 10 iterations.
iteration 990: trace = 2.449292777202406 (9.29684e-09% change)
linmin: converged after 4 iterations.
iteration 991: trace = 2.44929277696782 (9.57773e-09% change)
linmin: converged after 18 iterations.
iteration 992: trace = 2.449292776861291 (4.34938e-09% change)
large trace change predicted (1.12244e-08%)
linmin: converged after 2 iterations.
iteration 993: trace = 2.449292776586386 (1.12238e-08% change)
linmin: converged after 6 iterations.
iteration 994: trace = 2.449292776349524 (9.67063e-09% change)
linmin: converged after 5 iterations.
iteration 995: trace = 2.449292776278055 (2.91793e-09% change)
large trace change predicted (9.96082e-09%)
linmin: converged after 4 iterations.
iteration 996: trace = 2.449292776034087 (9.96075e-09% change)
linmin: converged after 5 iterations.
iteration 997: trace = 2.449292775870198 (6.69129e-09% change)
linmin: converged after 3 iterations.
iteration 998: trace = 2.449292775812048 (2.37417e-09% change)
large trace change predicted (7.34534e-09%)
linmin: converged after 7 iterations.
iteration 999: trace = 2.449292775632143 (7.34516e-09% change)
linmin: converged after 7 iterations.
iteration 1000: trace = 2.449292775487076 (5.92281e-09% change)
linmin: converged after 5 iterations.
iteration 1001: trace = 2.449292775440195 (1.91405e-09% change)
large trace change predicted (5.54556e-09%)
linmin: converged after 5 iterations.
iteration 1002: trace = 2.449292775304374 (5.54534e-09% change)
linmin: converged after 7 iterations.
iteration 1003: trace = 2.449292775126637 (7.25665e-09% change)
linmin: converged after 4 iterations.
iteration 1004: trace = 2.449292775074531 (2.1274e-09% change)
large trace change predicted (1.21033e-08%)
linmin: converged after 6 iterations.
iteration 1005: trace = 2.449292774778077 (1.21037e-08% change)
linmin: converged after 8 iterations.
iteration 1006: trace = 2.449292774512282 (1.08519e-08% change)
linmin: converged after 18 iterations.
iteration 1007: trace = 2.449292774367768 (5.90022e-09% change)
linmin: converged after 4 iterations.
iteration 1008: trace = 2.449292774282644 (3.47545e-09% change)
large trace change predicted (9.99848e-09%)
linmin: converged after 4 iterations.
iteration 1009: trace = 2.449292774037751 (9.9985e-09% change)
linmin: converged after 11 iterations.
iteration 1010: trace = 2.449292773823038 (8.76633e-09% change)
linmin: converged after 6 iterations.
iteration 1011: trace = 2.449292773693298 (5.29707e-09% change)
linmin: converged after 3 iterations.
iteration 1012: trace = 2.449292773530047 (6.6652e-09% change)
linmin: converged after 4 iterations.
iteration 1013: trace = 2.449292773211893 (1.29896e-08% change)
linmin: converged after 4 iterations.
iteration 1014: trace = 2.4492927730975 (4.67047e-09% change)
linmin: converged after 4 iterations.
iteration 1015: trace = 2.44929277290337 (7.92598e-09% change)
linmin: converged after 7 iterations.
iteration 1016: trace = 2.449292772717558 (7.58633e-09% change)
linmin: converged after 4 iterations.
iteration 1017: trace = 2.449292772670309 (1.92908e-09% change)
large trace change predicted (4.34693e-09%)
linmin: converged after 4 iterations.
iteration 1018: trace = 2.449292772563841 (4.34689e-09% change)
linmin: converged after 5 iterations.
iteration 1019: trace = 2.449292772441809 (4.98232e-09% change)
linmin: converged after 10 iterations.
iteration 1020: trace = 2.449292772349872 (3.75362e-09% change)
linmin: converged after 14 iterations.
iteration 1021: trace = 2.449292772194014 (6.36339e-09% change)
linmin: converged after 4 iterations.
iteration 1022: trace = 2.449292771984177 (8.56727e-09% change)
linmin: converged after 7 iterations.
iteration 1023: trace = 2.449292771864493 (4.88645e-09% change)
linmin: converged after 4 iterations.
iteration 1024: trace = 2.449292771642871 (9.04842e-09% change)
linmin: converged after 4 iterations.
iteration 1025: trace = 2.44929277126778 (1.53143e-08% change)
linmin: converged after 6 iterations.
iteration 1026: trace = 2.449292771183107 (3.45706e-09% change)
large trace change predicted (9.18166e-09%)
linmin: converged after 4 iterations.
iteration 1027: trace = 2.449292770958227 (9.18139e-09% change)
linmin: converged after 4 iterations.
iteration 1028: trace = 2.449292770749206 (8.53392e-09% change)
linmin: converged after 3 iterations.
iteration 1029: trace = 2.449292770651521 (3.98833e-09% change)
large trace change predicted (9.64777e-09%)
linmin: converged after 4 iterations.
iteration 1030: trace = 2.449292770415231 (9.64726e-09% change)
linmin: converged after 4 iterations.
iteration 1031: trace = 2.449292770083744 (1.3534e-08% change)
linmin: converged after 12 iterations.
iteration 1032: trace = 2.4492927700224 (2.50457e-09% change)
large trace change predicted (8.77186e-09%)
linmin: converged after 15 iterations.
iteration 1033: trace = 2.449292769807539 (8.77235e-09% change)
linmin: converged after 4 iterations.
iteration 1034: trace = 2.449292769616413 (7.80334e-09% change)
linmin: converged after 4 iterations.
iteration 1035: trace = 2.449292769562297 (2.20943e-09% change)
large trace change predicted (6.11638e-09%)
linmin: converged after 13 iterations.
iteration 1036: trace = 2.44929276941248 (6.11675e-09% change)
linmin: converged after 6 iterations.
iteration 1037: trace = 2.449292769286351 (5.1496e-09% change)
linmin: converged after 4 iterations.
iteration 1038: trace = 2.449292769224287 (2.53398e-09% change)
linmin: converged after 19 iterations.
iteration 1039: trace = 2.44929276910249 (4.97272e-09% change)
linmin: converged after 4 iterations.
iteration 1040: trace = 2.449292768979161 (5.0353e-09% change)
large trace change predicted (1.02177e-08%)
linmin: converged after 7 iterations.
iteration 1041: trace = 2.449292768728897 (1.02178e-08% change)
linmin: converged after 25 iterations.
iteration 1042: trace = 2.449292768668198 (2.47823e-09% change)
large trace change predicted (1.08394e-08%)
linmin: converged after 4 iterations.
iteration 1043: trace = 2.449292768402714 (1.08392e-08% change)
linmin: converged after 4 iterations.
iteration 1044: trace = 2.449292768186227 (8.83877e-09% change)
linmin: converged after 4 iterations.
iteration 1045: trace = 2.449292768080908 (4.29995e-09% change)
large trace change predicted (1.20036e-08%)
linmin: converged after 4 iterations.
iteration 1046: trace = 2.449292767786905 (1.20036e-08% change)
linmin: converged after 16 iterations.
iteration 1047: trace = 2.449292767317353 (1.91709e-08% change)
linmin: converged after 4 iterations.
iteration 1048: trace = 2.4492927669618 (1.45166e-08% change)
linmin: converged after 4 iterations.
iteration 1049: trace = 2.449292766428851 (2.17593e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 1050: trace = 2.449292765968325 (1.88024e-08% change)
linmin: converged after 13 iterations.
iteration 1051: trace = 2.44929276571488 (1.03477e-08% change)
linmin: converged after 6 iterations.
iteration 1052: trace = 2.449292765371522 (1.40186e-08% change)
linmin: converged after 4 iterations.
iteration 1053: trace = 2.449292765277895 (3.82265e-09% change)
large trace change predicted (7.97857e-09%)
linmin: converged after 6 iterations.
iteration 1054: trace = 2.44929276508247 (7.97883e-09% change)
linmin: converged after 9 iterations.
iteration 1055: trace = 2.449292764915714 (6.80833e-09% change)
linmin: converged after 10 iterations.
iteration 1056: trace = 2.449292764819785 (3.91658e-09% change)
linmin: converged after 4 iterations.
iteration 1057: trace = 2.449292764727159 (3.78174e-09% change)
linmin: converged after 4 iterations.
iteration 1058: trace = 2.449292764583072 (5.88282e-09% change)
linmin: converged after 3 iterations.
iteration 1059: trace = 2.449292764546222 (1.50452e-09% change)
linmin: converged after 7 iterations.
iteration 1060: trace = 2.449292764473461 (2.97067e-09% change)
linmin: converged after 4 iterations.
iteration 1061: trace = 2.449292764372156 (4.13608e-09% change)
linmin: converged after 6 iterations.
iteration 1062: trace = 2.44929276434261 (1.20631e-09% change)
large trace change predicted (3.00343e-09%)
linmin: converged after 23 iterations.
iteration 1063: trace = 2.449292764269038 (3.00383e-09% change)
linmin: converged after 4 iterations.
iteration 1064: trace = 2.449292764168866 (4.08983e-09% change)
linmin: converged after 6 iterations.
iteration 1065: trace = 2.449292764134953 (1.38458e-09% change)
large trace change predicted (5.27524e-09%)
linmin: converged after 4 iterations.
iteration 1066: trace = 2.449292764005743 (5.27542e-09% change)
linmin: converged after 6 iterations.
iteration 1067: trace = 2.449292763884682 (4.94269e-09% change)
linmin: converged after 14 iterations.
iteration 1068: trace = 2.449292763841545 (1.7612e-09% change)
large trace change predicted (6.20926e-09%)
linmin: converged after 5 iterations.
iteration 1069: trace = 2.449292763689454 (6.2096e-09% change)
linmin: converged after 5 iterations.
iteration 1070: trace = 2.449292763603154 (3.52344e-09% change)
linmin: converged after 3 iterations.
iteration 1071: trace = 2.449292763560514 (1.74092e-09% change)
large trace change predicted (4.86847e-09%)
linmin: converged after 5 iterations.
iteration 1072: trace = 2.449292763441272 (4.86842e-09% change)
linmin: converged after 4 iterations.
iteration 1073: trace = 2.44929276332374 (4.79862e-09% change)
linmin: converged after 4 iterations.
iteration 1074: trace = 2.449292763290435 (1.35978e-09% change)
large trace change predicted (4.88064e-09%)
linmin: converged after 5 iterations.
iteration 1075: trace = 2.449292763170891 (4.88075e-09% change)
linmin: converged after 4 iterations.
iteration 1076: trace = 2.449292763072989 (3.99716e-09% change)
linmin: converged after 4 iterations.
iteration 1077: trace = 2.449292762995178 (3.17688e-09% change)
linmin: converged after 9 iterations.
iteration 1078: trace = 2.449292762971944 (9.48595e-10% change)
large trace change predicted (3.05053e-09%)
linmin: converged after 4 iterations.
iteration 1079: trace = 2.44929276289723 (3.05043e-09% change)
linmin: converged after 13 iterations.
iteration 1080: trace = 2.449292762855669 (1.69686e-09% change)
linmin: converged after 12 iterations.
iteration 1081: trace = 2.449292762837263 (7.51471e-10% change)
large trace change predicted (2.23762e-09%)
linmin: converged after 12 iterations.
iteration 1082: trace = 2.44929276278246 (2.23753e-09% change)
linmin: converged after 14 iterations.
iteration 1083: trace = 2.449292762713095 (2.83202e-09% change)
linmin: converged after 4 iterations.
iteration 1084: trace = 2.449292762687419 (1.04832e-09% change)
large trace change predicted (5.03792e-09%)
linmin: converged after 7 iterations.
iteration 1085: trace = 2.449292762564024 (5.03799e-09% change)
linmin: converged after 18 iterations.
iteration 1086: trace = 2.449292762456729 (4.38065e-09% change)
linmin: converged after 18 iterations.
iteration 1087: trace = 2.449292762417846 (1.58749e-09% change)
large trace change predicted (3.1791e-09%)
linmin: converged after 3 iterations.
iteration 1088: trace = 2.449292762339978 (3.17922e-09% change)
linmin: converged after 4 iterations.
iteration 1089: trace = 2.449292762236167 (4.23841e-09% change)
linmin: converged after 3 iterations.
iteration 1090: trace = 2.449292762214396 (8.88852e-10% change)
large trace change predicted (3.58121e-09%)
linmin: converged after 4 iterations.
iteration 1091: trace = 2.44929276212669 (3.5809e-09% change)
linmin: converged after 7 iterations.
iteration 1092: trace = 2.449292762069378 (2.33992e-09% change)
linmin: converged after 4 iterations.
iteration 1093: trace = 2.449292762012817 (2.30928e-09% change)
linmin: converged after 4 iterations.
iteration 1094: trace = 2.449292761982268 (1.24725e-09% change)
large trace change predicted (3.10232e-09%)
linmin: converged after 4 iterations.
iteration 1095: trace = 2.449292761906284 (3.10231e-09% change)
linmin: converged after 15 iterations.
iteration 1096: trace = 2.449292761891368 (6.08995e-10% change)
large trace change predicted (1.63706e-09%)
linmin: converged after 3 iterations.
iteration 1097: trace = 2.449292761851263 (1.63739e-09% change)
linmin: converged after 4 iterations.
iteration 1098: trace = 2.449292761807737 (1.77711e-09% change)
linmin: converged after 5 iterations.
iteration 1099: trace = 2.449292761793073 (5.98678e-10% change)
large trace change predicted (1.42501e-09%)
linmin: converged after 13 iterations.
iteration 1100: trace = 2.449292761758168 (1.4251e-09% change)
linmin: converged after 15 iterations.
iteration 1101: trace = 2.449292761707303 (2.07673e-09% change)
linmin: converged after 6 iterations.
iteration 1102: trace = 2.44929276169212 (6.1991e-10% change)
large trace change predicted (1.7834e-09%)
linmin: converged after 22 iterations.
iteration 1103: trace = 2.449292761648443 (1.78323e-09% change)
linmin: converged after 5 iterations.
iteration 1104: trace = 2.449292761585703 (2.56158e-09% change)
linmin: converged after 21 iterations.
iteration 1105: trace = 2.449292761543351 (1.72913e-09% change)
linmin: converged after 2 iterations.
iteration 1106: trace = 2.449292761507111 (1.47962e-09% change)
large trace change predicted (3.44618e-09%)
linmin: converged after 4 iterations.
iteration 1107: trace = 2.449292761422707 (3.44604e-09% change)
linmin: converged after 7 iterations.
iteration 1108: trace = 2.449292761353378 (2.83059e-09% change)
linmin: converged after 4 iterations.
iteration 1109: trace = 2.449292761327601 (1.05241e-09% change)
linmin: converged after 12 iterations.
iteration 1110: trace = 2.44929276128173 (1.87282e-09% change)
linmin: converged after 4 iterations.
iteration 1111: trace = 2.449292761220391 (2.50435e-09% change)
linmin: converged after 6 iterations.
iteration 1112: trace = 2.449292761208689 (4.77779e-10% change)
large trace change predicted (2.07531e-09%)
linmin: converged after 4 iterations.
iteration 1113: trace = 2.449292761157852 (2.0756e-09% change)
linmin: converged after 6 iterations.
iteration 1114: trace = 2.449292761110674 (1.92616e-09% change)
linmin: converged after 9 iterations.
iteration 1115: trace = 2.44929276108564 (1.02212e-09% change)
linmin: converged after 2 iterations.
iteration 1116: trace = 2.449292761053592 (1.30847e-09% change)
linmin: converged after 3 iterations.
iteration 1117: trace = 2.449292761030066 (9.60489e-10% change)
linmin: converged after 5 iterations.
iteration 1118: trace = 2.449292761024818 (2.14276e-10% change)
linmin: converged after 6 iterations.
iteration 1119: trace = 2.44929276101568 (3.73088e-10% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1120: trace = 2.449292761007742 (3.24079e-10% change)
linmin: converged after 10 iterations.
iteration 1121: trace = 2.44929276100358 (1.69945e-10% change)
large trace change predicted (7.80825e-10%)
linmin: converged after 3 iterations.
iteration 1122: trace = 2.449292760984458 (7.80717e-10% change)
linmin: converged after 5 iterations.
iteration 1123: trace = 2.44929276096336 (8.61383e-10% change)
linmin: converged after 8 iterations.
iteration 1124: trace = 2.449292760939866 (9.5922e-10% change)
linmin: converged after 18 iterations.
iteration 1125: trace = 2.449292760897241 (1.74028e-09% change)
linmin: converged after 4 iterations.
iteration 1126: trace = 2.449292760848863 (1.97519e-09% change)
linmin: converged after 5 iterations.
iteration 1127: trace = 2.449292760837915 (4.4701e-10% change)
large trace change predicted (2.25817e-09%)
linmin: converged after 2 iterations.
iteration 1128: trace = 2.44929276078261 (2.258e-09% change)
linmin: converged after 8 iterations.
iteration 1129: trace = 2.449292760754957 (1.12898e-09% change)
linmin: converged after 6 iterations.
iteration 1130: trace = 2.449292760730642 (9.92763e-10% change)
large trace change predicted (2.03515e-09%)
linmin: converged after 7 iterations.
iteration 1131: trace = 2.449292760680793 (2.03524e-09% change)
linmin: converged after 5 iterations.
iteration 1132: trace = 2.449292760631572 (2.00959e-09% change)
linmin: converged after 12 iterations.
iteration 1133: trace = 2.449292760604489 (1.10574e-09% change)
large trace change predicted (2.32198e-09%)
linmin: converged after 4 iterations.
iteration 1134: trace = 2.44929276054762 (2.32188e-09% change)
linmin: converged after 21 iterations.
iteration 1135: trace = 2.4492927605003 (1.93198e-09% change)
linmin: converged after 4 iterations.
iteration 1136: trace = 2.449292760486126 (5.78697e-10% change)
large trace change predicted (1.34256e-09%)
linmin: converged after 7 iterations.
iteration 1137: trace = 2.449292760453242 (1.34259e-09% change)
linmin: converged after 4 iterations.
iteration 1138: trace = 2.449292760418562 (1.41593e-09% change)
linmin: converged after 4 iterations.
iteration 1139: trace = 2.449292760409395 (3.74267e-10% change)
large trace change predicted (1.20718e-09%)
linmin: converged after 7 iterations.
iteration 1140: trace = 2.449292760379826 (1.20722e-09% change)
linmin: converged after 5 iterations.
iteration 1141: trace = 2.449292760356247 (9.62719e-10% change)
linmin: converged after 16 iterations.
iteration 1142: trace = 2.449292760344707 (4.71124e-10% change)
large trace change predicted (1.27546e-09%)
linmin: converged after 3 iterations.
iteration 1143: trace = 2.449292760313462 (1.2757e-09% change)
linmin: converged after 4 iterations.
iteration 1144: trace = 2.449292760266365 (1.92286e-09% change)
linmin: converged after 9 iterations.
iteration 1145: trace = 2.449292760255133 (4.58577e-10% change)
large trace change predicted (1.91525e-09%)
linmin: converged after 6 iterations.
iteration 1146: trace = 2.449292760208221 (1.91534e-09% change)
linmin: converged after 4 iterations.
iteration 1147: trace = 2.449292760169658 (1.57445e-09% change)
linmin: converged after 19 iterations.
iteration 1148: trace = 2.449292760156511 (5.3676e-10% change)
large trace change predicted (1.9284e-09%)
linmin: converged after 19 iterations.
iteration 1149: trace = 2.449292760109271 (1.92874e-09% change)
linmin: converged after 4 iterations.
iteration 1150: trace = 2.449292760072884 (1.48561e-09% change)
linmin: converged after 16 iterations.
iteration 1151: trace = 2.449292760044754 (1.14851e-09% change)
linmin: converged after 4 iterations.
iteration 1152: trace = 2.449292760010435 (1.40117e-09% change)
large trace change predicted (3.03388e-09%)
linmin: converged after 2 iterations.
iteration 1153: trace = 2.44929275993613 (3.03373e-09% change)
linmin: converged after 8 iterations.
iteration 1154: trace = 2.449292759906359 (1.21549e-09% change)
linmin: converged after 15 iterations.
iteration 1155: trace = 2.449292759858777 (1.94266e-09% change)
linmin: converged after 4 iterations.
iteration 1156: trace = 2.449292759822857 (1.46657e-09% change)
linmin: converged after 4 iterations.
iteration 1157: trace = 2.449292759797514 (1.03468e-09% change)
linmin: converged after 3 iterations.
iteration 1158: trace = 2.449292759789126 (3.42501e-10% change)
large trace change predicted (1.0153e-09%)
linmin: converged after 20 iterations.
iteration 1159: trace = 2.449292759764242 (1.01595e-09% change)
linmin: converged after 23 iterations.
iteration 1160: trace = 2.449292759728197 (1.47165e-09% change)
linmin: converged after 7 iterations.
iteration 1161: trace = 2.449292759715638 (5.12754e-10% change)
large trace change predicted (1.54497e-09%)
linmin: converged after 8 iterations.
iteration 1162: trace = 2.4492927596778 (1.54488e-09% change)
linmin: converged after 4 iterations.
iteration 1163: trace = 2.449292759626884 (2.07877e-09% change)
linmin: converged after 6 iterations.
iteration 1164: trace = 2.449292759608432 (7.53393e-10% change)
large trace change predicted (2.37225e-09%)
linmin: converged after 10 iterations.
iteration 1165: trace = 2.449292759550325 (2.37239e-09% change)
linmin: converged after 4 iterations.
iteration 1166: trace = 2.449292759509685 (1.65925e-09% change)
linmin: converged after 4 iterations.
iteration 1167: trace = 2.449292759482831 (1.09638e-09% change)
linmin: converged after 12 iterations.
iteration 1168: trace = 2.449292759453837 (1.18378e-09% change)
linmin: converged after 4 iterations.
iteration 1169: trace = 2.449292759399416 (2.22188e-09% change)
linmin: converged after 10 iterations.
iteration 1170: trace = 2.449292759378642 (8.48183e-10% change)
large trace change predicted (2.1927e-09%)
linmin: converged after 4 iterations.
iteration 1171: trace = 2.449292759324932 (2.19287e-09% change)
linmin: converged after 15 iterations.
iteration 1172: trace = 2.449292759281017 (1.79297e-09% change)
linmin: converged after 7 iterations.
iteration 1173: trace = 2.449292759251759 (1.19453e-09% change)
linmin: converged after 13 iterations.
iteration 1174: trace = 2.449292759226954 (1.01278e-09% change)
linmin: converged after 5 iterations.
iteration 1175: trace = 2.449292759191787 (1.43578e-09% change)
linmin: converged after 3 iterations.
iteration 1176: trace = 2.449292759176609 (6.19674e-10% change)
linmin: converged after 3 iterations.
iteration 1177: trace = 2.449292759167176 (3.85146e-10% change)
large trace change predicted (1.32493e-09%)
linmin: converged after 14 iterations.
iteration 1178: trace = 2.449292759134728 (1.3248e-09% change)
linmin: converged after 4 iterations.
iteration 1179: trace = 2.449292759103133 (1.28993e-09% change)
linmin: converged after 3 iterations.
iteration 1180: trace = 2.44929275909218 (4.47227e-10% change)
large trace change predicted (1.78244e-09%)
linmin: converged after 3 iterations.
iteration 1181: trace = 2.449292759048531 (1.78209e-09% change)
linmin: converged after 4 iterations.
iteration 1182: trace = 2.449292759012669 (1.4642e-09% change)
linmin: converged after 4 iterations.
iteration 1183: trace = 2.449292758991429 (8.67185e-10% change)
large trace change predicted (1.92437e-09%)
linmin: converged after 15 iterations.
iteration 1184: trace = 2.449292758944294 (1.9244e-09% change)
linmin: converged after 16 iterations.
iteration 1185: trace = 2.449292758888086 (2.2949e-09% change)
linmin: converged after 16 iterations.
iteration 1186: trace = 2.449292758862216 (1.05622e-09% change)
large trace change predicted (3.36071e-09%)
linmin: converged after 4 iterations.
iteration 1187: trace = 2.4492927587799 (3.36079e-09% change)
linmin: converged after 2 iterations.
iteration 1188: trace = 2.449292758728909 (2.08187e-09% change)
linmin: converged after 4 iterations.
iteration 1189: trace = 2.449292758646394 (3.36891e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 1190: trace = 2.449292758570232 (3.10956e-09% change)
linmin: converged after 5 iterations.
iteration 1191: trace = 2.449292758528312 (1.71154e-09% change)
linmin: converged after 6 iterations.
iteration 1192: trace = 2.449292758463964 (2.62719e-09% change)
linmin: converged after 6 iterations.
iteration 1193: trace = 2.449292758444641 (7.8893e-10% change)
large trace change predicted (1.66761e-09%)
linmin: converged after 18 iterations.
iteration 1194: trace = 2.449292758403796 (1.66759e-09% change)
linmin: converged after 4 iterations.
iteration 1195: trace = 2.449292758371266 (1.32814e-09% change)
linmin: converged after 7 iterations.
iteration 1196: trace = 2.449292758357194 (5.74545e-10% change)
linmin: converged after 4 iterations.
iteration 1197: trace = 2.449292758334138 (9.41324e-10% change)
linmin: converged after 3 iterations.
iteration 1198: trace = 2.449292758306159 (1.14236e-09% change)
linmin: converged after 11 iterations.
iteration 1199: trace = 2.449292758299229 (2.82921e-10% change)
large trace change predicted (8.66803e-10%)
linmin: converged after 9 iterations.
iteration 1200: trace = 2.449292758277997 (8.66859e-10% change)
linmin: converged after 13 iterations.
iteration 1201: trace = 2.449292758256874 (8.62398e-10% change)
linmin: converged after 6 iterations.
iteration 1202: trace = 2.44929275825095 (2.41872e-10% change)
linmin: converged after 6 iterations.
iteration 1203: trace = 2.44929275823966 (4.60953e-10% change)
linmin: converged after 19 iterations.
iteration 1204: trace = 2.449292758217747 (8.94672e-10% change)
linmin: converged after 10 iterations.
iteration 1205: trace = 2.449292758210747 (2.85804e-10% change)
large trace change predicted (1.131e-09%)
linmin: converged after 4 iterations.
iteration 1206: trace = 2.449292758183054 (1.13063e-09% change)
linmin: converged after 4 iterations.
iteration 1207: trace = 2.449292758157191 (1.05593e-09% change)
linmin: converged after 8 iterations.
iteration 1208: trace = 2.449292758128336 (1.17812e-09% change)
linmin: converged after 4 iterations.
iteration 1209: trace = 2.449292758116175 (4.96526e-10% change)
large trace change predicted (1.09776e-09%)
linmin: converged after 6 iterations.
iteration 1210: trace = 2.449292758089271 (1.09841e-09% change)
linmin: converged after 4 iterations.
iteration 1211: trace = 2.44929275807355 (6.41867e-10% change)
linmin: converged after 4 iterations.
iteration 1212: trace = 2.449292758064461 (3.71076e-10% change)
linmin: converged after 6 iterations.
iteration 1213: trace = 2.449292758046835 (7.19632e-10% change)
linmin: converged after 4 iterations.
iteration 1214: trace = 2.44929275802047 (1.07644e-09% change)
linmin: converged after 3 iterations.
iteration 1215: trace = 2.44929275801478 (2.32335e-10% change)
large trace change predicted (8.12678e-10%)
linmin: converged after 19 iterations.
iteration 1216: trace = 2.449292757994878 (8.12537e-10% change)
linmin: converged after 4 iterations.
iteration 1217: trace = 2.449292757980141 (6.01706e-10% change)
linmin: converged after 3 iterations.
iteration 1218: trace = 2.449292757974836 (2.16597e-10% change)
large trace change predicted (5.59722e-10%)
linmin: converged after 18 iterations.
iteration 1219: trace = 2.449292757961126 (5.5975e-10% change)
linmin: converged after 5 iterations.
iteration 1220: trace = 2.449292757950947 (4.15588e-10% change)
linmin: converged after 4 iterations.
iteration 1221: trace = 2.449292757947216 (1.52303e-10% change)
large trace change predicted (4.28529e-10%)
linmin: converged after 6 iterations.
iteration 1222: trace = 2.449292757936721 (4.28498e-10% change)
linmin: converged after 7 iterations.
iteration 1223: trace = 2.449292757921767 (6.10554e-10% change)
linmin: converged after 3 iterations.
iteration 1224: trace = 2.449292757912874 (3.63098e-10% change)
large trace change predicted (9.90502e-10%)
linmin: converged after 9 iterations.
iteration 1225: trace = 2.449292757888617 (9.90333e-10% change)
linmin: converged after 15 iterations.
iteration 1226: trace = 2.44929275786038 (1.15288e-09% change)
linmin: converged after 4 iterations.
iteration 1227: trace = 2.449292757845739 (5.97753e-10% change)
linmin: converged after 5 iterations.
iteration 1228: trace = 2.449292757838752 (2.85278e-10% change)
large trace change predicted (7.35967e-10%)
linmin: converged after 4 iterations.
iteration 1229: trace = 2.449292757820726 (7.35969e-10% change)
linmin: converged after 4 iterations.
iteration 1230: trace = 2.449292757806199 (5.93094e-10% change)
linmin: converged after 3 iterations.
iteration 1231: trace = 2.449292757800715 (2.23904e-10% change)
large trace change predicted (5.02954e-10%)
linmin: converged after 4 iterations.
iteration 1232: trace = 2.449292757788395 (5.03035e-10% change)
linmin: converged after 13 iterations.
iteration 1233: trace = 2.449292757772279 (6.57986e-10% change)
linmin: converged after 7 iterations.
iteration 1234: trace = 2.449292757767738 (1.85375e-10% change)
large trace change predicted (5.15055e-10%)
linmin: converged after 6 iterations.
iteration 1235: trace = 2.449292757755121 (5.15129e-10% change)
linmin: converged after 7 iterations.
iteration 1236: trace = 2.449292757747561 (3.0865e-10% change)
linmin: converged after 6 iterations.
iteration 1237: trace = 2.449292757741099 (2.63865e-10% change)
linmin: converged after 3 iterations.
iteration 1238: trace = 2.449292757736615 (1.83036e-10% change)
linmin: converged after 6 iterations.
iteration 1239: trace = 2.449292757727691 (3.64385e-10% change)
linmin: converged after 4 iterations.
iteration 1240: trace = 2.449292757725059 (1.07446e-10% change)
large trace change predicted (3.94538e-10%)
linmin: converged after 6 iterations.
iteration 1241: trace = 2.449292757715408 (3.94012e-10% change)
linmin: converged after 4 iterations.
iteration 1242: trace = 2.449292757707109 (3.38856e-10% change)
linmin: converged after 2 iterations.
iteration 1243: trace = 2.449292757703049 (1.65738e-10% change)
large trace change predicted (5.3833e-10%)
linmin: converged after 16 iterations.
iteration 1244: trace = 2.449292757689868 (5.38156e-10% change)
linmin: converged after 3 iterations.
iteration 1245: trace = 2.449292757674787 (6.1574e-10% change)
linmin: converged after 6 iterations.
iteration 1246: trace = 2.44929275766581 (3.66525e-10% change)
linmin: converged after 4 iterations.
iteration 1247: trace = 2.449292757655007 (4.41044e-10% change)
linmin: converged after 6 iterations.
iteration 1248: trace = 2.449292757641816 (5.38591e-10% change)
linmin: converged after 6 iterations.
iteration 1249: trace = 2.449292757632077 (3.9762e-10% change)
linmin: converged after 4 iterations.
iteration 1250: trace = 2.449292757628572 (1.43092e-10% change)
large trace change predicted (5.66461e-10%)
linmin: converged after 4 iterations.
iteration 1251: trace = 2.449292757614693 (5.66676e-10% change)
linmin: converged after 4 iterations.
iteration 1252: trace = 2.449292757604955 (3.97547e-10% change)
linmin: converged after 4 iterations.
iteration 1253: trace = 2.44929275760057 (1.79065e-10% change)
large trace change predicted (3.60655e-10%)
linmin: converged after 4 iterations.
iteration 1254: trace = 2.449292757591733 (3.60795e-10% change)
linmin: converged after 5 iterations.
iteration 1255: trace = 2.449292757582814 (3.64131e-10% change)
linmin: converged after 3 iterations.
iteration 1256: trace = 2.449292757579361 (1.40989e-10% change)
linmin: converged after 3 iterations.
iteration 1257: trace = 2.449292757577576 (7.28517e-11% change)
Finished solving for bands 1 to 10 after 1257 iterations.
tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689
elapsed time for k point: 39.36967134475708
solve_kpoint (0.5,0.166667,0):
Solving for bands 1 to 10...
linmin: converged after 4 iterations.
iteration 1: trace = 2.515861294823707 (3.43116% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.507854223892372 (0.318771% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.499310860216668 (0.341246% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.498172950204133 (0.0455393% change)
large trace change predicted (0.100542%)
linmin: converged after 4 iterations.
iteration 5: trace = 2.495678864135456 (0.0998863% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.495170593955623 (0.0203681% change)
linmin: converged after 6 iterations.
iteration 7: trace = 2.494660906209061 (0.0204291% change)
linmin: converged after 3 iterations.
iteration 8: trace = 2.494390041883609 (0.0108584% change)
linmin: converged after 3 iterations.
iteration 9: trace = 2.494240374217128 (0.00600035% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.494053174731029 (0.00750555% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.494006825486339 (0.00185841% change)
large trace change predicted (0.00615564%)
linmin: converged after 4 iterations.
iteration 12: trace = 2.4938539337283 (0.00613055% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.493809367813176 (0.00178705% change)
large trace change predicted (0.00364813%)
linmin: converged after 4 iterations.
iteration 14: trace = 2.493718828130056 (0.00363064% change)
linmin: converged after 5 iterations.
iteration 15: trace = 2.493653590997041 (0.00261609% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.493597478449508 (0.00225024% change)
large trace change predicted (0.00494521%)
linmin: converged after 5 iterations.
iteration 17: trace = 2.493474380662515 (0.00493668% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.493424211282409 (0.00201205% change)
large trace change predicted (0.00492523%)
linmin: converged after 4 iterations.
iteration 19: trace = 2.493301803556187 (0.00490934% change)
linmin: converged after 5 iterations.
iteration 20: trace = 2.493243906051005 (0.00232215% change)
large trace change predicted (0.00472084%)
linmin: converged after 4 iterations.
iteration 21: trace = 2.49312657023029 (0.00470626% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.493032187772082 (0.00378578% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.492931282130852 (0.00404759% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.492785228344313 (0.00585889% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.492694607675644 (0.00363538% change)
linmin: converged after 3 iterations.
iteration 26: trace = 2.49255659821512 (0.00553671% change)
linmin: converged after 6 iterations.
iteration 27: trace = 2.492504536387946 (0.00208871% change)
large trace change predicted (0.00584589%)
linmin: converged after 5 iterations.
iteration 28: trace = 2.492359092471954 (0.00583542% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.492292349087578 (0.00267796% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.492204279010497 (0.00353376% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.492122077924615 (0.00329838% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.492088499467698 (0.00134739% change)
large trace change predicted (0.00374959%)
linmin: converged after 6 iterations.
iteration 33: trace = 2.491995155120871 (0.0037457% change)
linmin: converged after 3 iterations.
iteration 34: trace = 2.491973065110292 (0.000886443% change)
large trace change predicted (0.00384145%)
linmin: converged after 7 iterations.
iteration 35: trace = 2.49187743560066 (0.00383758% change)
linmin: converged after 17 iterations.
iteration 36: trace = 2.491799717427675 (0.00311891% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.491716656516858 (0.00333343% change)
large trace change predicted (0.00753776%)
linmin: converged after 4 iterations.
iteration 38: trace = 2.491529155564599 (0.00752525% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.491464441983394 (0.00259738% change)
large trace change predicted (0.00785127%)
linmin: converged after 4 iterations.
iteration 40: trace = 2.491269246541563 (0.00783487% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.491195511873895 (0.00295977% change)
linmin: converged after 4 iterations.
iteration 42: trace = 2.491085264280376 (0.00442559% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.491014765050342 (0.0028301% change)
linmin: converged after 4 iterations.
iteration 44: trace = 2.490969415878733 (0.00182053% change)
large trace change predicted (0.0053874%)
linmin: converged after 3 iterations.
iteration 45: trace = 2.490834911351619 (0.00539983% change)
linmin: converged after 4 iterations.
iteration 46: trace = 2.490789502484418 (0.00182305% change)
large trace change predicted (0.0100849%)
linmin: converged after 3 iterations.
iteration 47: trace = 2.49053647452969 (0.0101591% change)
linmin: converged after 20 iterations.
iteration 48: trace = 2.490423740490455 (0.0045266% change)
linmin: converged after 3 iterations.
iteration 49: trace = 2.490250082384984 (0.00697328% change)
linmin: converged after 3 iterations.
iteration 50: trace = 2.490020799246789 (0.00920766% change)
linmin: converged after 5 iterations.
iteration 51: trace = 2.489949055174652 (0.00288131% change)
large trace change predicted (0.00946168%)
linmin: converged after 3 iterations.
iteration 52: trace = 2.48971117962506 (0.00955389% change)
linmin: converged after 3 iterations.
iteration 53: trace = 2.489658491902614 (0.00211624% change)
large trace change predicted (0.00434355%)
linmin: converged after 3 iterations.
iteration 54: trace = 2.489549898127971 (0.00436189% change)
linmin: converged after 5 iterations.
iteration 55: trace = 2.48947062557736 (0.00318426% change)
linmin: converged after 3 iterations.
iteration 56: trace = 2.489407081986692 (0.00255253% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.489315107827438 (0.00369469% change)
linmin: converged after 3 iterations.
iteration 58: trace = 2.489272616817455 (0.00170695% change)
large trace change predicted (0.0035833%)
linmin: converged after 3 iterations.
iteration 59: trace = 2.489183274694564 (0.00358915% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.489147397629161 (0.00144133% change)
large trace change predicted (0.00337187%)
linmin: converged after 3 iterations.
iteration 61: trace = 2.489063390627739 (0.00337499% change)
linmin: converged after 7 iterations.
iteration 62: trace = 2.489014206089442 (0.00197605% change)
linmin: converged after 3 iterations.
iteration 63: trace = 2.488950741324421 (0.00254983% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.488865312927528 (0.00343236% change)
linmin: converged after 9 iterations.
iteration 65: trace = 2.48882896850126 (0.00146029% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.48876392857978 (0.00261331% change)
linmin: converged after 3 iterations.
iteration 67: trace = 2.488735831145782 (0.00112898% change)
large trace change predicted (0.00312832%)
linmin: converged after 4 iterations.
iteration 68: trace = 2.488658025727338 (0.00312635% change)
linmin: converged after 3 iterations.
iteration 69: trace = 2.488603332566496 (0.00219772% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 70: trace = 2.488574488312971 (0.00115906% change)
large trace change predicted (0.00249044%)
linmin: converged after 3 iterations.
iteration 71: trace = 2.48851254333619 (0.00248921% change)
linmin: converged after 4 iterations.
iteration 72: trace = 2.488484811407522 (0.0011144% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.488451517226611 (0.00133794% change)
large trace change predicted (0.00319143%)
linmin: converged after 4 iterations.
iteration 74: trace = 2.488372331770319 (0.00318217% change)
linmin: converged after 3 iterations.
iteration 75: trace = 2.488356743306831 (0.000626454% change)
large trace change predicted (0.00189955%)
linmin: converged after 17 iterations.
iteration 76: trace = 2.488309528844206 (0.00189743% change)
linmin: converged after 4 iterations.
iteration 77: trace = 2.488271470308082 (0.00152951% change)
linmin: converged after 6 iterations.
iteration 78: trace = 2.48825801210287 (0.000540867% change)
large trace change predicted (0.00171403%)
linmin: converged after 4 iterations.
iteration 79: trace = 2.488215444516833 (0.00171075% change)
linmin: converged after 5 iterations.
iteration 80: trace = 2.488166265906318 (0.00197648% change)
linmin: converged after 5 iterations.
iteration 81: trace = 2.488145088281531 (0.000851137% change)
linmin: converged after 8 iterations.
iteration 82: trace = 2.488106107642166 (0.00156667% change)
linmin: converged after 4 iterations.
iteration 83: trace = 2.488066356131985 (0.00159767% change)
linmin: converged after 4 iterations.
iteration 84: trace = 2.488048660012617 (0.000711242% change)
large trace change predicted (0.00194535%)
linmin: converged after 4 iterations.
iteration 85: trace = 2.488000407478186 (0.00193939% change)
linmin: converged after 12 iterations.
iteration 86: trace = 2.487937964026419 (0.00250982% change)
linmin: converged after 7 iterations.
iteration 87: trace = 2.487919669342228 (0.000735338% change)
large trace change predicted (0.00295757%)
linmin: converged after 9 iterations.
iteration 88: trace = 2.487846129611174 (0.00295592% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.487797914847537 (0.00193803% change)
linmin: converged after 3 iterations.
iteration 90: trace = 2.487776324147264 (0.000867868% change)
large trace change predicted (0.00215009%)
linmin: converged after 10 iterations.
iteration 91: trace = 2.487722850374884 (0.00214948% change)
linmin: converged after 3 iterations.
iteration 92: trace = 2.487710832915366 (0.000483072% change)
large trace change predicted (0.00124415%)
linmin: converged after 3 iterations.
iteration 93: trace = 2.487679892050236 (0.00124376% change)
linmin: converged after 3 iterations.
iteration 94: trace = 2.487653052696605 (0.0010789% change)
linmin: converged after 3 iterations.
iteration 95: trace = 2.487630523528716 (0.000905644% change)
linmin: converged after 3 iterations.
iteration 96: trace = 2.487599187541065 (0.00125968% change)
linmin: converged after 3 iterations.
iteration 97: trace = 2.487540234500335 (0.00236991% change)
linmin: converged after 4 iterations.
iteration 98: trace = 2.487521680053145 (0.000745898% change)
linmin: converged after 3 iterations.
iteration 99: trace = 2.48749369234538 (0.00112513% change)
linmin: converged after 4 iterations.
iteration 100: trace = 2.487462280776408 (0.00126279% change)
linmin: converged after 3 iterations.
iteration 101: trace = 2.48745538317346 (0.000277295% change)
large trace change predicted (0.000932189%)
linmin: converged after 4 iterations.
iteration 102: trace = 2.487432232946961 (0.000930683% change)
linmin: converged after 3 iterations.
iteration 103: trace = 2.487405053164896 (0.00109269% change)
linmin: converged after 3 iterations.
iteration 104: trace = 2.487396826845584 (0.000330719% change)
large trace change predicted (0.00148287%)
linmin: converged after 3 iterations.
iteration 105: trace = 2.487359850426164 (0.00148656% change)
linmin: converged after 3 iterations.
iteration 106: trace = 2.487331104378208 (0.00115569% change)
linmin: converged after 3 iterations.
iteration 107: trace = 2.487319503966435 (0.000466381% change)
large trace change predicted (0.00232124%)
linmin: converged after 3 iterations.
iteration 108: trace = 2.487261660731532 (0.00232555% change)
linmin: converged after 3 iterations.
iteration 109: trace = 2.487237139175291 (0.000985891% change)
linmin: converged after 3 iterations.
iteration 110: trace = 2.487206689245876 (0.00122425% change)
linmin: converged after 3 iterations.
iteration 111: trace = 2.487173039153497 (0.00135294% change)
linmin: converged after 3 iterations.
iteration 112: trace = 2.487160582945407 (0.000500819% change)
linmin: converged after 3 iterations.
iteration 113: trace = 2.487141962003475 (0.000748686% change)
linmin: converged after 4 iterations.
iteration 114: trace = 2.48711156923264 (0.001222% change)
linmin: converged after 6 iterations.
iteration 115: trace = 2.487101755939142 (0.000394567% change)
large trace change predicted (0.000796849%)
linmin: converged after 4 iterations.
iteration 116: trace = 2.48708194273615 (0.000796641% change)
linmin: converged after 3 iterations.
iteration 117: trace = 2.487063696706578 (0.000733635% change)
linmin: converged after 3 iterations.
iteration 118: trace = 2.487055332252373 (0.000336319% change)
large trace change predicted (0.00104762%)
linmin: converged after 3 iterations.
iteration 119: trace = 2.487029269408359 (0.00104795% change)
linmin: converged after 3 iterations.
iteration 120: trace = 2.487008045615736 (0.000853383% change)
linmin: converged after 6 iterations.
iteration 121: trace = 2.48700017167732 (0.000316603% change)
large trace change predicted (0.000982653%)
linmin: converged after 3 iterations.
iteration 122: trace = 2.486975733197829 (0.000982654% change)
linmin: converged after 3 iterations.
iteration 123: trace = 2.486952916262832 (0.000917461% change)
linmin: converged after 2 iterations.
iteration 124: trace = 2.48694005832716 (0.000517017% change)
large trace change predicted (0.00230729%)
linmin: converged after 4 iterations.
iteration 125: trace = 2.486882730276597 (0.00230519% change)
linmin: converged after 3 iterations.
iteration 126: trace = 2.486843517538343 (0.0015768% change)
linmin: converged after 4 iterations.
iteration 127: trace = 2.486783802235894 (0.00240128% change)
linmin: converged after 4 iterations.
iteration 128: trace = 2.486698778470992 (0.00341908% change)
linmin: converged after 3 iterations.
iteration 129: trace = 2.486661370526541 (0.00150433% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.486623166420387 (0.00153637% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.486591360895059 (0.00127907% change)
linmin: converged after 3 iterations.
iteration 132: trace = 2.486581571046237 (0.000393706% change)
large trace change predicted (0.000967222%)
linmin: converged after 3 iterations.
iteration 133: trace = 2.486557511365659 (0.000967585% change)
linmin: converged after 3 iterations.
iteration 134: trace = 2.486535889996014 (0.000869534% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.486525791526607 (0.000406127% change)
large trace change predicted (0.0013309%)
linmin: converged after 3 iterations.
iteration 136: trace = 2.486492674495266 (0.00133187% change)
linmin: converged after 3 iterations.
iteration 137: trace = 2.486468592737199 (0.000968508% change)
linmin: converged after 8 iterations.
iteration 138: trace = 2.486461349200129 (0.000291319% change)
large trace change predicted (0.000628824%)
linmin: converged after 3 iterations.
iteration 139: trace = 2.486445714945586 (0.000628777% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.486440364077793 (0.000215202% change)
linmin: converged after 3 iterations.
iteration 141: trace = 2.48643689442398 (0.000139543% change)
large trace change predicted (0.000493667%)
linmin: converged after 5 iterations.
iteration 142: trace = 2.486424630862111 (0.00049322% change)
linmin: converged after 5 iterations.
iteration 143: trace = 2.486421645138631 (0.000120081% change)
large trace change predicted (0.00052143%)
linmin: converged after 9 iterations.
iteration 144: trace = 2.48640869659411 (0.000520772% change)
linmin: converged after 4 iterations.
iteration 145: trace = 2.486392039075713 (0.000669945% change)
linmin: converged after 3 iterations.
iteration 146: trace = 2.486387568137675 (0.000179816% change)
large trace change predicted (0.000453974%)
linmin: converged after 4 iterations.
iteration 147: trace = 2.486376278695008 (0.000454051% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.486363701246483 (0.000505856% change)
linmin: converged after 3 iterations.
iteration 149: trace = 2.486359977647575 (0.000149761% change)
large trace change predicted (0.000896594%)
linmin: converged after 3 iterations.
iteration 150: trace = 2.486337671144955 (0.000897159% change)
linmin: converged after 3 iterations.
iteration 151: trace = 2.486322945990872 (0.000592244% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.486310311991143 (0.000508141% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.48628834262749 (0.000883617% change)
linmin: converged after 3 iterations.
iteration 154: trace = 2.486270777770409 (0.000706472% change)
linmin: converged after 3 iterations.
iteration 155: trace = 2.486265100022484 (0.000228364% change)
large trace change predicted (0.000475066%)
linmin: converged after 3 iterations.
iteration 156: trace = 2.486253277978252 (0.000475495% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.486244584253122 (0.000349672% change)
linmin: converged after 4 iterations.
iteration 158: trace = 2.486241802712577 (0.000111877% change)
large trace change predicted (0.000398101%)
linmin: converged after 3 iterations.
iteration 159: trace = 2.486231901505214 (0.000398241% change)
linmin: converged after 3 iterations.
iteration 160: trace = 2.486229510742024 (9.61602e-05% change)
large trace change predicted (0.000223303%)
linmin: converged after 3 iterations.
iteration 161: trace = 2.486223958656125 (0.000223314% change)
linmin: converged after 5 iterations.
iteration 162: trace = 2.486219153101501 (0.000193287% change)
linmin: converged after 3 iterations.
iteration 163: trace = 2.486216749691723 (9.66693e-05% change)
large trace change predicted (0.00028739%)
linmin: converged after 4 iterations.
iteration 164: trace = 2.486209611799701 (0.000287099% change)
linmin: converged after 4 iterations.
iteration 165: trace = 2.486198939073596 (0.000429278% change)
linmin: converged after 4 iterations.
iteration 166: trace = 2.486196075316957 (0.000115186% change)
large trace change predicted (0.000263943%)
linmin: converged after 3 iterations.
iteration 167: trace = 2.486189515898882 (0.000263834% change)
linmin: converged after 3 iterations.
iteration 168: trace = 2.486181677693373 (0.00031527% change)
linmin: converged after 3 iterations.
iteration 169: trace = 2.486178980746995 (0.000108478% change)
large trace change predicted (0.000243339%)
linmin: converged after 3 iterations.
iteration 170: trace = 2.486172932037342 (0.000243294% change)
linmin: converged after 6 iterations.
iteration 171: trace = 2.486164268379485 (0.000348474% change)
linmin: converged after 4 iterations.
iteration 172: trace = 2.486160749798842 (0.000141527% change)
large trace change predicted (0.000307656%)
linmin: converged after 4 iterations.
iteration 173: trace = 2.48615310281474 (0.000307583% change)
linmin: converged after 13 iterations.
iteration 174: trace = 2.486145978824816 (0.000286547% change)
linmin: converged after 4 iterations.
iteration 175: trace = 2.486143489981627 (0.000100109% change)
large trace change predicted (0.000285133%)
linmin: converged after 5 iterations.
iteration 176: trace = 2.486136403667667 (0.000285033% change)
linmin: converged after 3 iterations.
iteration 177: trace = 2.486131847476408 (0.000183264% change)
linmin: converged after 3 iterations.
iteration 178: trace = 2.486129089392494 (0.000110939% change)
linmin: converged after 4 iterations.
iteration 179: trace = 2.486124817015899 (0.000171849% change)
linmin: converged after 3 iterations.
iteration 180: trace = 2.48612236315362 (9.87023e-05% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.486119062160494 (0.000132777% change)
large trace change predicted (0.000341427%)
linmin: converged after 4 iterations.
iteration 182: trace = 2.4861105797808 (0.00034119% change)
linmin: converged after 7 iterations.
iteration 183: trace = 2.486106060532093 (0.00018178% change)
linmin: converged after 5 iterations.
iteration 184: trace = 2.486103655763718 (9.67284e-05% change)
linmin: converged after 4 iterations.
iteration 185: trace = 2.486099626625522 (0.000162067% change)
linmin: converged after 7 iterations.
iteration 186: trace = 2.486095981949239 (0.000146602% change)
linmin: converged after 4 iterations.
iteration 187: trace = 2.486093698477957 (9.18497e-05% change)
large trace change predicted (0.000189809%)
linmin: converged after 3 iterations.
iteration 188: trace = 2.486088979475488 (0.000189816% change)
linmin: converged after 4 iterations.
iteration 189: trace = 2.48608690303075 (8.35226e-05% change)
large trace change predicted (0.000213472%)
linmin: converged after 3 iterations.
iteration 190: trace = 2.486081594103196 (0.000213546% change)
linmin: converged after 3 iterations.
iteration 191: trace = 2.486075453278893 (0.000247008% change)
linmin: converged after 3 iterations.
iteration 192: trace = 2.486072831976526 (0.000105439% change)
linmin: converged after 3 iterations.
iteration 193: trace = 2.4860679699097 (0.000195572% change)
linmin: converged after 3 iterations.
iteration 194: trace = 2.486062912554137 (0.000203428% change)
linmin: converged after 4 iterations.
iteration 195: trace = 2.486061531735453 (5.55424e-05% change)
large trace change predicted (0.000142%)
linmin: converged after 4 iterations.
iteration 196: trace = 2.486057999578007 (0.000142079% change)
linmin: converged after 5 iterations.
iteration 197: trace = 2.486054808772496 (0.000128348% change)
linmin: converged after 3 iterations.
iteration 198: trace = 2.48605378060835 (4.13573e-05% change)
large trace change predicted (9.41783e-05%)
linmin: converged after 3 iterations.
iteration 199: trace = 2.486051438129305 (9.42248e-05% change)
linmin: converged after 5 iterations.
iteration 200: trace = 2.486048715755478 (0.000109506% change)
linmin: converged after 4 iterations.
iteration 201: trace = 2.486047264557858 (5.83737e-05% change)
linmin: converged after 3 iterations.
iteration 202: trace = 2.486045469216303 (7.22167e-05% change)
large trace change predicted (0.000221725%)
linmin: converged after 4 iterations.
iteration 203: trace = 2.486039953169782 (0.000221881% change)
linmin: converged after 4 iterations.
iteration 204: trace = 2.486039052344386 (3.62354e-05% change)
large trace change predicted (0.000205339%)
linmin: converged after 5 iterations.
iteration 205: trace = 2.48603394525744 (0.000205431% change)
linmin: converged after 4 iterations.
iteration 206: trace = 2.486031440356014 (0.000100759% change)
linmin: converged after 3 iterations.
iteration 207: trace = 2.486030262167184 (4.73924e-05% change)
linmin: converged after 3 iterations.
iteration 208: trace = 2.486028013530505 (9.04509e-05% change)
linmin: converged after 3 iterations.
iteration 209: trace = 2.486025018789553 (0.000120463% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 210: trace = 2.486023490495198 (6.14754e-05% change)
linmin: converged after 3 iterations.
iteration 211: trace = 2.48602166290103 (7.35148e-05% change)
linmin: converged after 3 iterations.
iteration 212: trace = 2.486020612198732 (4.22644e-05% change)
linmin: converged after 4 iterations.
iteration 213: trace = 2.486018869972251 (7.0081e-05% change)
linmin: converged after 3 iterations.
iteration 214: trace = 2.48601666176142 (8.88252e-05% change)
linmin: converged after 3 iterations.
iteration 215: trace = 2.48601553870887 (4.51748e-05% change)
linmin: converged after 5 iterations.
iteration 216: trace = 2.486013568363215 (7.92572e-05% change)
linmin: converged after 4 iterations.
iteration 217: trace = 2.486011370528944 (8.8408e-05% change)
linmin: converged after 5 iterations.
iteration 218: trace = 2.486010571011795 (3.21606e-05% change)
linmin: converged after 3 iterations.
iteration 219: trace = 2.486009406007689 (4.68624e-05% change)
linmin: converged after 3 iterations.
iteration 220: trace = 2.486007496049898 (7.68283e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.486007097673618 (1.60247e-05% change)
large trace change predicted (9.33328e-05%)
linmin: converged after 3 iterations.
iteration 222: trace = 2.486004778739243 (9.32795e-05% change)
linmin: converged after 5 iterations.
iteration 223: trace = 2.486003289766493 (5.98942e-05% change)
linmin: converged after 3 iterations.
iteration 224: trace = 2.486002283893566 (4.04615e-05% change)
large trace change predicted (8.70104e-05%)
linmin: converged after 5 iterations.
iteration 225: trace = 2.486000121159814 (8.69965e-05% change)
linmin: converged after 3 iterations.
iteration 226: trace = 2.485997425034041 (0.000108452% change)
linmin: converged after 9 iterations.
iteration 227: trace = 2.485996163125309 (5.07607e-05% change)
large trace change predicted (0.000151638%)
linmin: converged after 3 iterations.
iteration 228: trace = 2.485992393875975 (0.000151619% change)
linmin: converged after 4 iterations.
iteration 229: trace = 2.485989733002224 (0.000107035% change)
linmin: converged after 3 iterations.
iteration 230: trace = 2.485988693714676 (4.18058e-05% change)
large trace change predicted (0.000117502%)
linmin: converged after 4 iterations.
iteration 231: trace = 2.485985772719453 (0.000117498% change)
linmin: converged after 3 iterations.
iteration 232: trace = 2.485984443995183 (5.34486e-05% change)
linmin: converged after 4 iterations.
iteration 233: trace = 2.485982851734076 (6.40495e-05% change)
linmin: converged after 4 iterations.
iteration 234: trace = 2.485980885310167 (7.91005e-05% change)
linmin: converged after 3 iterations.
iteration 235: trace = 2.485979858206526 (4.13158e-05% change)
linmin: converged after 3 iterations.
iteration 236: trace = 2.485978209871819 (6.63053e-05% change)
linmin: converged after 4 iterations.
iteration 237: trace = 2.48597582834629 (9.57984e-05% change)
linmin: converged after 5 iterations.
iteration 238: trace = 2.485974912326365 (3.68475e-05% change)
large trace change predicted (8.70141e-05%)
linmin: converged after 4 iterations.
iteration 239: trace = 2.485972748667882 (8.70346e-05% change)
linmin: converged after 4 iterations.
iteration 240: trace = 2.485971492712208 (5.05217e-05% change)
linmin: converged after 3 iterations.
iteration 241: trace = 2.485970973928371 (2.08685e-05% change)
large trace change predicted (5.40368e-05%)
linmin: converged after 6 iterations.
iteration 242: trace = 2.485969630536715 (5.40389e-05% change)
linmin: converged after 3 iterations.
iteration 243: trace = 2.485967559831264 (8.32957e-05% change)
linmin: converged after 3 iterations.
iteration 244: trace = 2.485967078739419 (1.93523e-05% change)
large trace change predicted (8.2354e-05%)
linmin: converged after 3 iterations.
iteration 245: trace = 2.485965031323315 (8.2359e-05% change)
linmin: converged after 3 iterations.
iteration 246: trace = 2.485962640659584 (9.61665e-05% change)
linmin: converged after 3 iterations.
iteration 247: trace = 2.485961944036905 (2.80223e-05% change)
large trace change predicted (0.000151146%)
linmin: converged after 4 iterations.
iteration 248: trace = 2.485958185151954 (0.000151205% change)
linmin: converged after 3 iterations.
iteration 249: trace = 2.485956960222452 (4.9274e-05% change)
linmin: converged after 4 iterations.
iteration 250: trace = 2.485955150742278 (7.27881e-05% change)
linmin: converged after 3 iterations.
iteration 251: trace = 2.485953066285371 (8.38494e-05% change)
linmin: converged after 4 iterations.
iteration 252: trace = 2.485952164881962 (3.62599e-05% change)
linmin: converged after 3 iterations.
iteration 253: trace = 2.485950800249106 (5.48938e-05% change)
linmin: converged after 4 iterations.
iteration 254: trace = 2.485948205009592 (0.000104396% change)
linmin: converged after 3 iterations.
iteration 255: trace = 2.485947601448794 (2.42789e-05% change)
large trace change predicted (5.97318e-05%)
linmin: converged after 4 iterations.
iteration 256: trace = 2.485946116174774 (5.97468e-05% change)
linmin: converged after 5 iterations.
iteration 257: trace = 2.485944524338768 (6.40334e-05% change)
linmin: converged after 4 iterations.
iteration 258: trace = 2.485943911939749 (2.46345e-05% change)
large trace change predicted (5.0313e-05%)
linmin: converged after 15 iterations.
iteration 259: trace = 2.485942661183049 (5.03132e-05% change)
linmin: converged after 3 iterations.
iteration 260: trace = 2.485941103862217 (6.26451e-05% change)
linmin: converged after 3 iterations.
iteration 261: trace = 2.485940744162713 (1.44694e-05% change)
large trace change predicted (8.07906e-05%)
linmin: converged after 3 iterations.
iteration 262: trace = 2.485938736422496 (8.07638e-05% change)
linmin: converged after 3 iterations.
iteration 263: trace = 2.485937070192094 (6.70262e-05% change)
linmin: converged after 3 iterations.
iteration 264: trace = 2.485936394434843 (2.71832e-05% change)
large trace change predicted (7.49784e-05%)
linmin: converged after 8 iterations.
iteration 265: trace = 2.485934530771025 (7.49683e-05% change)
linmin: converged after 4 iterations.
iteration 266: trace = 2.485932254701447 (9.15579e-05% change)
linmin: converged after 4 iterations.
iteration 267: trace = 2.485931133415977 (4.51052e-05% change)
large trace change predicted (0.000103874%)
linmin: converged after 4 iterations.
iteration 268: trace = 2.485928553014296 (0.0001038% change)
linmin: converged after 3 iterations.
iteration 269: trace = 2.485926983853744 (6.31217e-05% change)
linmin: converged after 3 iterations.
iteration 270: trace = 2.485926089404439 (3.59805e-05% change)
linmin: converged after 5 iterations.
iteration 271: trace = 2.485924390151787 (6.83549e-05% change)
linmin: converged after 4 iterations.
iteration 272: trace = 2.485923218224088 (4.71425e-05% change)
linmin: converged after 3 iterations.
iteration 273: trace = 2.485922138723549 (4.34245e-05% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.485920888319217 (5.02994e-05% change)
linmin: converged after 3 iterations.
iteration 275: trace = 2.485920113174555 (3.11814e-05% change)
linmin: converged after 3 iterations.
iteration 276: trace = 2.485918807819563 (5.25099e-05% change)
linmin: converged after 3 iterations.
iteration 277: trace = 2.485917542684775 (5.08921e-05% change)
linmin: converged after 4 iterations.
iteration 278: trace = 2.485917216708569 (1.31129e-05% change)
large trace change predicted (3.23434e-05%)
linmin: converged after 2 iterations.
iteration 279: trace = 2.485916412678185 (3.23434e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 280: trace = 2.485915854614772 (2.2449e-05% change)
linmin: converged after 4 iterations.
iteration 281: trace = 2.485915604839614 (1.00476e-05% change)
large trace change predicted (3.13564e-05%)
linmin: converged after 3 iterations.
iteration 282: trace = 2.485914825426478 (3.13532e-05% change)
linmin: converged after 4 iterations.
iteration 283: trace = 2.485913935720369 (3.57899e-05% change)
linmin: converged after 3 iterations.
iteration 284: trace = 2.485913602026633 (1.34234e-05% change)
large trace change predicted (4.71743e-05%)
linmin: converged after 3 iterations.
iteration 285: trace = 2.485912430014779 (4.71461e-05% change)
linmin: converged after 4 iterations.
iteration 286: trace = 2.485911610531108 (3.29651e-05% change)
linmin: converged after 4 iterations.
iteration 287: trace = 2.485911233500578 (1.51667e-05% change)
large trace change predicted (3.64809e-05%)
linmin: converged after 4 iterations.
iteration 288: trace = 2.485910326580237 (3.64824e-05% change)
linmin: converged after 4 iterations.
iteration 289: trace = 2.485909660726284 (2.67851e-05% change)
linmin: converged after 3 iterations.
iteration 290: trace = 2.485908543743136 (4.49326e-05% change)
linmin: converged after 4 iterations.
iteration 291: trace = 2.48590702865525 (6.09471e-05% change)
linmin: converged after 6 iterations.
iteration 292: trace = 2.485906460482644 (2.28557e-05% change)
linmin: converged after 5 iterations.
iteration 293: trace = 2.485905405789129 (4.24269e-05% change)
linmin: converged after 3 iterations.
iteration 294: trace = 2.485904090084648 (5.29266e-05% change)
linmin: converged after 3 iterations.
iteration 295: trace = 2.4859038167858 (1.09939e-05% change)
large trace change predicted (3.55819e-05%)
linmin: converged after 3 iterations.
iteration 296: trace = 2.485902932019473 (3.55913e-05% change)
linmin: converged after 5 iterations.
iteration 297: trace = 2.485902210676486 (2.90173e-05% change)
linmin: converged after 4 iterations.
iteration 298: trace = 2.485901645474348 (2.27363e-05% change)
linmin: converged after 3 iterations.
iteration 299: trace = 2.485901281643706 (1.46358e-05% change)
large trace change predicted (3.45878e-05%)
linmin: converged after 3 iterations.
iteration 300: trace = 2.485900421822486 (3.45879e-05% change)
linmin: converged after 3 iterations.
iteration 301: trace = 2.485900255980168 (6.67132e-06% change)
large trace change predicted (2.61477e-05%)
linmin: converged after 5 iterations.
iteration 302: trace = 2.485899605899899 (2.61507e-05% change)
linmin: converged after 6 iterations.
iteration 303: trace = 2.485898894206893 (2.86292e-05% change)
linmin: converged after 4 iterations.
iteration 304: trace = 2.485898680576151 (8.5937e-06% change)
large trace change predicted (3.4018e-05%)
linmin: converged after 3 iterations.
iteration 305: trace = 2.485897834986386 (3.40155e-05% change)
linmin: converged after 5 iterations.
iteration 306: trace = 2.485897110045423 (2.91621e-05% change)
linmin: converged after 4 iterations.
iteration 307: trace = 2.485896884702557 (9.06485e-06% change)
large trace change predicted (2.94314e-05%)
linmin: converged after 3 iterations.
iteration 308: trace = 2.485896153256249 (2.94238e-05% change)
linmin: converged after 4 iterations.
iteration 309: trace = 2.485895610553827 (2.18313e-05% change)
linmin: converged after 3 iterations.
iteration 310: trace = 2.485895372859215 (9.56173e-06% change)
large trace change predicted (2.56914e-05%)
linmin: converged after 3 iterations.
iteration 311: trace = 2.485894734361974 (2.56848e-05% change)
linmin: converged after 3 iterations.
iteration 312: trace = 2.485893943895731 (3.17981e-05% change)
linmin: converged after 3 iterations.
iteration 313: trace = 2.48589372298764 (8.88647e-06% change)
large trace change predicted (1.8117e-05%)
linmin: converged after 4 iterations.
iteration 314: trace = 2.485893272793051 (1.811e-05% change)
linmin: converged after 7 iterations.
iteration 315: trace = 2.485892693143444 (2.33176e-05% change)
linmin: converged after 3 iterations.
iteration 316: trace = 2.485892581999734 (4.47098e-06% change)
large trace change predicted (2.28637e-05%)
linmin: converged after 3 iterations.
iteration 317: trace = 2.485892013736819 (2.28595e-05% change)
linmin: converged after 9 iterations.
iteration 318: trace = 2.485891796052413 (8.75679e-06% change)
linmin: converged after 7 iterations.
iteration 319: trace = 2.485891534558626 (1.05191e-05% change)
linmin: converged after 3 iterations.
iteration 320: trace = 2.485891109768906 (1.7088e-05% change)
linmin: converged after 4 iterations.
iteration 321: trace = 2.485890687364705 (1.69921e-05% change)
linmin: converged after 11 iterations.
iteration 322: trace = 2.485890419178516 (1.07883e-05% change)
large trace change predicted (2.48834e-05%)
linmin: converged after 3 iterations.
iteration 323: trace = 2.485889800734375 (2.48782e-05% change)
linmin: converged after 4 iterations.
iteration 324: trace = 2.485889500881436 (1.20622e-05% change)
linmin: converged after 5 iterations.
iteration 325: trace = 2.485889304231886 (7.91063e-06% change)
large trace change predicted (1.89391e-05%)
linmin: converged after 3 iterations.
iteration 326: trace = 2.485888833500975 (1.89361e-05% change)
linmin: converged after 2 iterations.
iteration 327: trace = 2.485888532237391 (1.21189e-05% change)
linmin: converged after 3 iterations.
iteration 328: trace = 2.485888224327214 (1.23863e-05% change)
large trace change predicted (2.88287e-05%)
linmin: converged after 3 iterations.
iteration 329: trace = 2.485887507641941 (2.88302e-05% change)
linmin: converged after 3 iterations.
iteration 330: trace = 2.485887321590134 (7.48432e-06% change)
large trace change predicted (2.62286e-05%)
linmin: converged after 4 iterations.
iteration 331: trace = 2.485886669509031 (2.62313e-05% change)
linmin: converged after 17 iterations.
iteration 332: trace = 2.485886271546526 (1.60089e-05% change)
linmin: converged after 23 iterations.
iteration 333: trace = 2.485886036669849 (9.44841e-06% change)
linmin: converged after 3 iterations.
iteration 334: trace = 2.485885727686369 (1.24295e-05% change)
linmin: converged after 4 iterations.
iteration 335: trace = 2.485885463547331 (1.06256e-05% change)
linmin: converged after 5 iterations.
iteration 336: trace = 2.48588538035897 (3.34643e-06% change)
large trace change predicted (7.91677e-06%)
linmin: converged after 3 iterations.
iteration 337: trace = 2.485885183544672 (7.91727e-06% change)
linmin: converged after 3 iterations.
iteration 338: trace = 2.485884977341013 (8.29498e-06% change)
linmin: converged after 13 iterations.
iteration 339: trace = 2.4858849238718 (2.15091e-06% change)
large trace change predicted (1.14147e-05%)
linmin: converged after 4 iterations.
iteration 340: trace = 2.485884640050627 (1.14173e-05% change)
linmin: converged after 4 iterations.
iteration 341: trace = 2.485884455890573 (7.40823e-06% change)
linmin: converged after 3 iterations.
iteration 342: trace = 2.48588431959591 (5.48274e-06% change)
large trace change predicted (1.25046e-05%)
linmin: converged after 3 iterations.
iteration 343: trace = 2.485884008707377 (1.25062e-05% change)
linmin: converged after 3 iterations.
iteration 344: trace = 2.485883631919509 (1.51571e-05% change)
linmin: converged after 4 iterations.
iteration 345: trace = 2.485883543829701 (3.5436e-06% change)
large trace change predicted (1.38635e-05%)
linmin: converged after 4 iterations.
iteration 346: trace = 2.485883199158217 (1.38652e-05% change)
linmin: converged after 5 iterations.
iteration 347: trace = 2.485883040870831 (6.36745e-06% change)
linmin: converged after 2 iterations.
iteration 348: trace = 2.485882925940942 (4.6233e-06% change)
large trace change predicted (3.41652e-05%)
linmin: converged after 3 iterations.
iteration 349: trace = 2.485882076662393 (3.41641e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 350: trace = 2.485881531845951 (2.19164e-05% change)
linmin: converged after 4 iterations.
iteration 351: trace = 2.485881420376806 (4.48409e-06% change)
linmin: converged after 2 iterations.
iteration 352: trace = 2.485881210121353 (8.45798e-06% change)
linmin: converged after 3 iterations.
iteration 353: trace = 2.485881016334936 (7.79548e-06% change)
linmin: converged after 23 iterations.
iteration 354: trace = 2.485880937761203 (3.1608e-06% change)
large trace change predicted (1.07913e-05%)
linmin: converged after 4 iterations.
iteration 355: trace = 2.485880669553119 (1.07893e-05% change)
linmin: converged after 4 iterations.
iteration 356: trace = 2.485880540272528 (5.2006e-06% change)
linmin: converged after 12 iterations.
iteration 357: trace = 2.485880411295024 (5.1884e-06% change)
linmin: converged after 16 iterations.
iteration 358: trace = 2.485880205524116 (8.27759e-06% change)
linmin: converged after 5 iterations.
iteration 359: trace = 2.485880077288831 (5.15855e-06% change)
linmin: converged after 3 iterations.
iteration 360: trace = 2.485879944471353 (5.34288e-06% change)
linmin: converged after 5 iterations.
iteration 361: trace = 2.485879801549053 (5.74936e-06% change)
linmin: converged after 3 iterations.
iteration 362: trace = 2.485879707457223 (3.78505e-06% change)
linmin: converged after 13 iterations.
iteration 363: trace = 2.485879634528129 (2.93373e-06% change)
large trace change predicted (8.03772e-06%)
linmin: converged after 4 iterations.
iteration 364: trace = 2.485879434740679 (8.03689e-06% change)
linmin: converged after 28 iterations.
iteration 365: trace = 2.485879331367719 (4.15841e-06% change)
large trace change predicted (9.29068e-06%)
linmin: converged after 4 iterations.
iteration 366: trace = 2.485879100454452 (9.289e-06% change)
linmin: converged after 5 iterations.
iteration 367: trace = 2.485878837064779 (1.05954e-05% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.485878729131869 (4.34184e-06% change)
large trace change predicted (1.2098e-05%)
linmin: converged after 3 iterations.
iteration 369: trace = 2.485878428408305 (1.20973e-05% change)
linmin: converged after 3 iterations.
iteration 370: trace = 2.485878073758307 (1.42666e-05% change)
linmin: converged after 4 iterations.
iteration 371: trace = 2.485877981221552 (3.7225e-06% change)
large trace change predicted (1.13229e-05%)
linmin: converged after 25 iterations.
iteration 372: trace = 2.485877699742548 (1.13231e-05% change)
linmin: converged after 4 iterations.
iteration 373: trace = 2.485877484507991 (8.65829e-06% change)
linmin: converged after 4 iterations.
iteration 374: trace = 2.485877418337438 (2.66186e-06% change)
large trace change predicted (7.70211e-06%)
linmin: converged after 4 iterations.
iteration 375: trace = 2.485877226856576 (7.70275e-06% change)
linmin: converged after 3 iterations.
iteration 376: trace = 2.485877013790351 (8.57107e-06% change)
linmin: converged after 3 iterations.
iteration 377: trace = 2.485876955746806 (2.33493e-06% change)
large trace change predicted (1.01283e-05%)
linmin: converged after 4 iterations.
iteration 378: trace = 2.485876703951327 (1.0129e-05% change)
linmin: converged after 4 iterations.
iteration 379: trace = 2.485876519710565 (7.4115e-06% change)
linmin: converged after 4 iterations.
iteration 380: trace = 2.485876419522392 (4.0303e-06% change)
linmin: converged after 3 iterations.
iteration 381: trace = 2.48587629009486 (5.20652e-06% change)
linmin: converged after 3 iterations.
iteration 382: trace = 2.485876114997457 (7.04369e-06% change)
linmin: converged after 3 iterations.
iteration 383: trace = 2.485876067118848 (1.92603e-06% change)
large trace change predicted (5.9119e-06%)
linmin: converged after 3 iterations.
iteration 384: trace = 2.485875920162212 (5.91166e-06% change)
linmin: converged after 3 iterations.
iteration 385: trace = 2.485875699790946 (8.86493e-06% change)
linmin: converged after 2 iterations.
iteration 386: trace = 2.485875637547403 (2.50389e-06% change)
large trace change predicted (1.44752e-05%)
linmin: converged after 3 iterations.
iteration 387: trace = 2.485875277674114 (1.44767e-05% change)
linmin: converged after 3 iterations.
iteration 388: trace = 2.48587516732283 (4.43913e-06% change)
large trace change predicted (1.0271e-05%)
linmin: converged after 4 iterations.
iteration 389: trace = 2.485874911966766 (1.02723e-05% change)
linmin: converged after 3 iterations.
iteration 390: trace = 2.485874724965145 (7.52257e-06% change)
linmin: converged after 3 iterations.
iteration 391: trace = 2.485874585810329 (5.59782e-06% change)
linmin: converged after 2 iterations.
iteration 392: trace = 2.485874475007122 (4.45731e-06% change)
large trace change predicted (9.21703e-06%)
linmin: converged after 5 iterations.
iteration 393: trace = 2.485874245862277 (9.21788e-06% change)
linmin: converged after 2 iterations.
iteration 394: trace = 2.485874097138778 (5.98274e-06% change)
linmin: converged after 4 iterations.
iteration 395: trace = 2.485874018548325 (3.16148e-06% change)
large trace change predicted (9.11319e-06%)
linmin: converged after 4 iterations.
iteration 396: trace = 2.485873792000316 (9.11342e-06% change)
linmin: converged after 3 iterations.
iteration 397: trace = 2.485873650025204 (5.71128e-06% change)
linmin: converged after 2 iterations.
iteration 398: trace = 2.485873575026428 (3.017e-06% change)
large trace change predicted (6.83041e-06%)
linmin: converged after 3 iterations.
iteration 399: trace = 2.485873405232691 (6.83035e-06% change)
linmin: converged after 2 iterations.
iteration 400: trace = 2.485873334427557 (2.8483e-06% change)
linmin: converged after 8 iterations.
iteration 401: trace = 2.485873226746033 (4.33174e-06% change)
linmin: converged after 4 iterations.
iteration 402: trace = 2.485873102627311 (4.99296e-06% change)
linmin: converged after 3 iterations.
iteration 403: trace = 2.485873013082879 (3.60213e-06% change)
linmin: converged after 3 iterations.
iteration 404: trace = 2.485872848650845 (6.61466e-06% change)
linmin: converged after 3 iterations.
iteration 405: trace = 2.485872606465885 (9.74245e-06% change)
linmin: converged after 4 iterations.
iteration 406: trace = 2.485872500525659 (4.26169e-06% change)
linmin: converged after 4 iterations.
iteration 407: trace = 2.485872340775921 (6.4263e-06% change)
linmin: converged after 4 iterations.
iteration 408: trace = 2.485872127636879 (8.57401e-06% change)
linmin: converged after 27 iterations.
iteration 409: trace = 2.485871977664941 (6.03297e-06% change)
linmin: converged after 3 iterations.
iteration 410: trace = 2.48587178743392 (7.65249e-06% change)
linmin: converged after 14 iterations.
iteration 411: trace = 2.485871653136878 (5.40241e-06% change)
linmin: converged after 3 iterations.
iteration 412: trace = 2.485871591977778 (2.46027e-06% change)
large trace change predicted (5.14357e-06%)
linmin: converged after 4 iterations.
iteration 413: trace = 2.485871464120002 (5.14338e-06% change)
linmin: converged after 4 iterations.
iteration 414: trace = 2.485871293319661 (6.87084e-06% change)
linmin: converged after 3 iterations.
iteration 415: trace = 2.485871249562674 (1.76023e-06% change)
large trace change predicted (6.72001e-06%)
linmin: converged after 3 iterations.
iteration 416: trace = 2.48587108249018 (6.72088e-06% change)
linmin: converged after 3 iterations.
iteration 417: trace = 2.485870984250105 (3.95194e-06% change)
linmin: converged after 2 iterations.
iteration 418: trace = 2.485870952548725 (1.27526e-06% change)
large trace change predicted (3.18047e-06%)
linmin: converged after 2 iterations.
iteration 419: trace = 2.485870873482373 (3.18063e-06% change)
resetting CG direction...
linmin: converged after 8 iterations.
iteration 420: trace = 2.485870826185133 (1.90264e-06% change)
linmin: converged after 3 iterations.
iteration 421: trace = 2.485870804992696 (8.52516e-07% change)
large trace change predicted (3.67275e-06%)
linmin: converged after 16 iterations.
iteration 422: trace = 2.485870713703668 (3.67232e-06% change)
linmin: converged after 6 iterations.
iteration 423: trace = 2.485870649459652 (2.58437e-06% change)
linmin: converged after 26 iterations.
iteration 424: trace = 2.485870579195577 (2.82654e-06% change)
large trace change predicted (6.14005e-06%)
linmin: converged after 3 iterations.
iteration 425: trace = 2.48587042658298 (6.1392e-06% change)
linmin: converged after 3 iterations.
iteration 426: trace = 2.485870387733369 (1.56282e-06% change)
large trace change predicted (3.80478e-06%)
linmin: converged after 3 iterations.
iteration 427: trace = 2.48587029315704 (3.80456e-06% change)
linmin: converged after 2 iterations.
iteration 428: trace = 2.485870201672891 (3.68017e-06% change)
linmin: converged after 10 iterations.
iteration 429: trace = 2.485870167072535 (1.39188e-06% change)
large trace change predicted (5.75033e-06%)
linmin: converged after 4 iterations.
iteration 430: trace = 2.485870024103886 (5.75125e-06% change)
linmin: converged after 4 iterations.
iteration 431: trace = 2.485869898548686 (5.05075e-06% change)
linmin: converged after 4 iterations.
iteration 432: trace = 2.485869844610689 (2.16978e-06% change)
large trace change predicted (5.09535e-06%)
linmin: converged after 5 iterations.
iteration 433: trace = 2.485869717931538 (5.09597e-06% change)
linmin: converged after 3 iterations.
iteration 434: trace = 2.485869570860758 (5.91627e-06% change)
linmin: converged after 4 iterations.
iteration 435: trace = 2.485869538405462 (1.30559e-06% change)
large trace change predicted (5.01784e-06%)
linmin: converged after 4 iterations.
iteration 436: trace = 2.48586941365184 (5.01851e-06% change)
linmin: converged after 2 iterations.
iteration 437: trace = 2.485869353111046 (2.4354e-06% change)
linmin: converged after 4 iterations.
iteration 438: trace = 2.485869325966736 (1.09194e-06% change)
large trace change predicted (2.91817e-06%)
linmin: converged after 2 iterations.
iteration 439: trace = 2.485869253421938 (2.91829e-06% change)
linmin: converged after 3 iterations.
iteration 440: trace = 2.485869187405435 (2.65567e-06% change)
linmin: converged after 4 iterations.
iteration 441: trace = 2.485869154122661 (1.33888e-06% change)
large trace change predicted (3.93182e-06%)
linmin: converged after 4 iterations.
iteration 442: trace = 2.485869056381857 (3.93186e-06% change)
linmin: converged after 7 iterations.
iteration 443: trace = 2.485868990631439 (2.64497e-06% change)
linmin: converged after 4 iterations.
iteration 444: trace = 2.485868950514359 (1.61381e-06% change)
large trace change predicted (3.49854e-06%)
linmin: converged after 11 iterations.
iteration 445: trace = 2.48586886354771 (3.49844e-06% change)
linmin: converged after 3 iterations.
iteration 446: trace = 2.48586877851952 (3.42046e-06% change)
linmin: converged after 9 iterations.
iteration 447: trace = 2.485868752222224 (1.05787e-06% change)
large trace change predicted (3.20654e-06%)
linmin: converged after 3 iterations.
iteration 448: trace = 2.485868672520881 (3.20618e-06% change)
linmin: converged after 3 iterations.
iteration 449: trace = 2.485868616373929 (2.25865e-06% change)
linmin: converged after 7 iterations.
iteration 450: trace = 2.485868588677285 (1.11416e-06% change)
large trace change predicted (3.17835e-06%)
linmin: converged after 3 iterations.
iteration 451: trace = 2.485868509679706 (3.17787e-06% change)
linmin: converged after 3 iterations.
iteration 452: trace = 2.48586843517151 (2.99727e-06% change)
linmin: converged after 2 iterations.
iteration 453: trace = 2.485868392214075 (1.72807e-06% change)
linmin: converged after 20 iterations.
iteration 454: trace = 2.485868313100681 (3.18253e-06% change)
linmin: converged after 3 iterations.
iteration 455: trace = 2.485868274828585 (1.53959e-06% change)
linmin: converged after 2 iterations.
iteration 456: trace = 2.485868253101239 (8.74034e-07% change)
large trace change predicted (2.03344e-06%)
linmin: converged after 8 iterations.
iteration 457: trace = 2.485868202554756 (2.03335e-06% change)
linmin: converged after 7 iterations.
iteration 458: trace = 2.485868180754217 (8.76979e-07% change)
linmin: converged after 7 iterations.
iteration 459: trace = 2.485868151906752 (1.16046e-06% change)
linmin: converged after 3 iterations.
iteration 460: trace = 2.48586810987279 (1.69092e-06% change)
linmin: converged after 4 iterations.
iteration 461: trace = 2.485868059976598 (2.00719e-06% change)
linmin: converged after 11 iterations.
iteration 462: trace = 2.485868030641332 (1.18008e-06% change)
large trace change predicted (3.03729e-06%)
linmin: converged after 3 iterations.
iteration 463: trace = 2.485867955143797 (3.03707e-06% change)
linmin: converged after 7 iterations.
iteration 464: trace = 2.485867933956875 (8.52295e-07% change)
linmin: converged after 18 iterations.
iteration 465: trace = 2.485867898022732 (1.44554e-06% change)
linmin: converged after 3 iterations.
iteration 466: trace = 2.485867844866589 (2.13833e-06% change)
linmin: converged after 3 iterations.
iteration 467: trace = 2.485867827753335 (6.88422e-07% change)
large trace change predicted (2.05603e-06%)
linmin: converged after 3 iterations.
iteration 468: trace = 2.48586777664503 (2.05595e-06% change)
linmin: converged after 3 iterations.
iteration 469: trace = 2.485867700976697 (3.04394e-06% change)
linmin: converged after 6 iterations.
iteration 470: trace = 2.485867681369146 (7.88761e-07% change)
large trace change predicted (2.85284e-06%)
linmin: converged after 2 iterations.
iteration 471: trace = 2.485867610450966 (2.85285e-06% change)
linmin: converged after 2 iterations.
iteration 472: trace = 2.485867560946671 (1.99143e-06% change)
linmin: converged after 3 iterations.
iteration 473: trace = 2.485867528400795 (1.30924e-06% change)
linmin: converged after 2 iterations.
iteration 474: trace = 2.485867502088975 (1.05846e-06% change)
linmin: converged after 4 iterations.
iteration 475: trace = 2.485867470495856 (1.27091e-06% change)
linmin: converged after 17 iterations.
iteration 476: trace = 2.485867464037915 (2.59786e-07% change)
large trace change predicted (8.49973e-07%)
linmin: converged after 3 iterations.
iteration 477: trace = 2.485867442908187 (8.49994e-07% change)
linmin: converged after 5 iterations.
iteration 478: trace = 2.485867424065592 (7.57989e-07% change)
linmin: converged after 24 iterations.
iteration 479: trace = 2.485867415467713 (3.4587e-07% change)
large trace change predicted (1.17432e-06%)
linmin: converged after 3 iterations.
iteration 480: trace = 2.485867386273996 (1.17439e-06% change)
linmin: converged after 3 iterations.
iteration 481: trace = 2.485867357807119 (1.14515e-06% change)
linmin: converged after 2 iterations.
iteration 482: trace = 2.485867343996171 (5.55579e-07% change)
linmin: converged after 2 iterations.
iteration 483: trace = 2.485867316968237 (1.08726e-06% change)
linmin: converged after 3 iterations.
iteration 484: trace = 2.48586729751084 (7.82721e-07% change)
linmin: converged after 3 iterations.
iteration 485: trace = 2.485867273695258 (9.58039e-07% change)
linmin: converged after 3 iterations.
iteration 486: trace = 2.485867232206363 (1.66899e-06% change)
linmin: converged after 3 iterations.
iteration 487: trace = 2.485867213588743 (7.48939e-07% change)
linmin: converged after 2 iterations.
iteration 488: trace = 2.485867197120823 (6.62462e-07% change)
large trace change predicted (3.32071e-06%)
linmin: converged after 3 iterations.
iteration 489: trace = 2.48586711456449 (3.32103e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 490: trace = 2.485867057641508 (2.28986e-06% change)
linmin: converged after 3 iterations.
iteration 491: trace = 2.485867045958281 (4.69986e-07% change)
large trace change predicted (1.18401e-06%)
linmin: converged after 2 iterations.
iteration 492: trace = 2.485867016525217 (1.18402e-06% change)
linmin: converged after 3 iterations.
iteration 493: trace = 2.485866998923883 (7.08056e-07% change)
linmin: converged after 6 iterations.
iteration 494: trace = 2.48586698163748 (6.95387e-07% change)
linmin: converged after 4 iterations.
iteration 495: trace = 2.485866953304781 (1.13975e-06% change)
linmin: converged after 3 iterations.
iteration 496: trace = 2.485866942582915 (4.31313e-07% change)
linmin: converged after 12 iterations.
iteration 497: trace = 2.485866926918081 (6.30156e-07% change)
linmin: converged after 4 iterations.
iteration 498: trace = 2.4858669057752 (8.50523e-07% change)
linmin: converged after 5 iterations.
iteration 499: trace = 2.485866895686453 (4.05844e-07% change)
linmin: converged after 10 iterations.
iteration 500: trace = 2.485866878962881 (6.72746e-07% change)
linmin: converged after 4 iterations.
iteration 501: trace = 2.485866862334349 (6.68923e-07% change)
linmin: converged after 23 iterations.
iteration 502: trace = 2.485866855253454 (2.84846e-07% change)
linmin: converged after 5 iterations.
iteration 503: trace = 2.485866841566453 (5.50593e-07% change)
linmin: converged after 14 iterations.
iteration 504: trace = 2.485866821485023 (8.07824e-07% change)
linmin: converged after 9 iterations.
iteration 505: trace = 2.485866815467968 (2.42051e-07% change)
large trace change predicted (1.31005e-06%)
linmin: converged after 5 iterations.
iteration 506: trace = 2.485866782902573 (1.31002e-06% change)
linmin: converged after 13 iterations.
iteration 507: trace = 2.485866758698175 (9.7368e-07% change)
linmin: converged after 3 iterations.
iteration 508: trace = 2.485866745310048 (5.3857e-07% change)
large trace change predicted (1.65922e-06%)
linmin: converged after 4 iterations.
iteration 509: trace = 2.485866704064841 (1.65919e-06% change)
linmin: converged after 10 iterations.
iteration 510: trace = 2.485866675385664 (1.15369e-06% change)
linmin: converged after 4 iterations.
iteration 511: trace = 2.485866651966378 (9.42097e-07% change)
linmin: converged after 2 iterations.
iteration 512: trace = 2.485866617539643 (1.3849e-06% change)
linmin: converged after 4 iterations.
iteration 513: trace = 2.48586659685221 (8.32202e-07% change)
linmin: converged after 23 iterations.
iteration 514: trace = 2.485866587209584 (3.87898e-07% change)
large trace change predicted (9.62888e-07%)
linmin: converged after 3 iterations.
iteration 515: trace = 2.485866563272827 (9.62914e-07% change)
linmin: converged after 2 iterations.
iteration 516: trace = 2.485866544787994 (7.43597e-07% change)
linmin: converged after 4 iterations.
iteration 517: trace = 2.485866532302611 (5.02255e-07% change)
large trace change predicted (1.12845e-06%)
linmin: converged after 19 iterations.
iteration 518: trace = 2.485866504250144 (1.12848e-06% change)
linmin: converged after 7 iterations.
iteration 519: trace = 2.485866482402194 (8.78887e-07% change)
linmin: converged after 7 iterations.
iteration 520: trace = 2.485866470636628 (4.73298e-07% change)
linmin: converged after 18 iterations.
iteration 521: trace = 2.485866457128474 (5.43398e-07% change)
linmin: converged after 2 iterations.
iteration 522: trace = 2.485866434636247 (9.04804e-07% change)
linmin: converged after 16 iterations.
iteration 523: trace = 2.485866429450478 (2.0861e-07% change)
large trace change predicted (7.45031e-07%)
linmin: converged after 4 iterations.
iteration 524: trace = 2.485866410930361 (7.45017e-07% change)
linmin: converged after 6 iterations.
iteration 525: trace = 2.485866386554031 (9.80597e-07% change)
linmin: converged after 3 iterations.
iteration 526: trace = 2.485866379448863 (2.85823e-07% change)
large trace change predicted (1.33751e-06%)
linmin: converged after 3 iterations.
iteration 527: trace = 2.485866346199174 (1.33755e-06% change)
linmin: converged after 5 iterations.
iteration 528: trace = 2.485866325278606 (8.41581e-07% change)
linmin: converged after 16 iterations.
iteration 529: trace = 2.485866308319103 (6.82237e-07% change)
linmin: converged after 26 iterations.
iteration 530: trace = 2.485866286243084 (8.88061e-07% change)
linmin: converged after 4 iterations.
iteration 531: trace = 2.48586627228336 (5.61564e-07% change)
linmin: converged after 3 iterations.
iteration 532: trace = 2.485866254795329 (7.03498e-07% change)
linmin: converged after 2 iterations.
iteration 533: trace = 2.485866225060005 (1.19618e-06% change)
linmin: converged after 4 iterations.
iteration 534: trace = 2.485866219383023 (2.2837e-07% change)
large trace change predicted (8.98148e-07%)
linmin: converged after 5 iterations.
iteration 535: trace = 2.485866197055422 (8.98182e-07% change)
linmin: converged after 3 iterations.
iteration 536: trace = 2.485866174206045 (9.19172e-07% change)
linmin: converged after 4 iterations.
iteration 537: trace = 2.485866165051766 (3.68253e-07% change)
linmin: converged after 3 iterations.
iteration 538: trace = 2.485866146926398 (7.29137e-07% change)
linmin: converged after 3 iterations.
iteration 539: trace = 2.485866128585155 (7.37821e-07% change)
linmin: converged after 2 iterations.
iteration 540: trace = 2.485866122226289 (2.55801e-07% change)
large trace change predicted (5.71085e-07%)
linmin: converged after 8 iterations.
iteration 541: trace = 2.485866108030621 (5.71055e-07% change)
linmin: converged after 18 iterations.
iteration 542: trace = 2.485866092245941 (6.34977e-07% change)
linmin: converged after 4 iterations.
iteration 543: trace = 2.48586607536496 (6.79078e-07% change)
linmin: converged after 17 iterations.
iteration 544: trace = 2.485866067343571 (3.2268e-07% change)
large trace change predicted (1.28422e-06%)
linmin: converged after 4 iterations.
iteration 545: trace = 2.485866035423817 (1.28405e-06% change)
linmin: converged after 8 iterations.
iteration 546: trace = 2.485866028410034 (2.82146e-07% change)
large trace change predicted (7.52651e-07%)
linmin: converged after 3 iterations.
iteration 547: trace = 2.485866009701284 (7.52605e-07% change)
linmin: converged after 4 iterations.
iteration 548: trace = 2.485865979770214 (1.20405e-06% change)
linmin: converged after 2 iterations.
iteration 549: trace = 2.485865972807352 (2.80098e-07% change)
large trace change predicted (9.17409e-07%)
linmin: converged after 9 iterations.
iteration 550: trace = 2.485865950002962 (9.17362e-07% change)
linmin: converged after 13 iterations.
iteration 551: trace = 2.485865934630411 (6.18398e-07% change)
linmin: converged after 13 iterations.
iteration 552: trace = 2.485865925309786 (3.74945e-07% change)
linmin: converged after 3 iterations.
iteration 553: trace = 2.485865913881186 (4.59743e-07% change)
linmin: converged after 7 iterations.
iteration 554: trace = 2.485865893445994 (8.22055e-07% change)
linmin: converged after 16 iterations.
iteration 555: trace = 2.48586588884364 (1.85141e-07% change)
large trace change predicted (6.37125e-07%)
linmin: converged after 8 iterations.
iteration 556: trace = 2.485865873004923 (6.37151e-07% change)
linmin: converged after 13 iterations.
iteration 557: trace = 2.485865861804665 (4.50558e-07% change)
linmin: converged after 13 iterations.
iteration 558: trace = 2.485865858472451 (1.34046e-07% change)
large trace change predicted (3.23355e-07%)
linmin: converged after 2 iterations.
iteration 559: trace = 2.485865850434236 (3.23357e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 560: trace = 2.485865844733147 (2.2934e-07% change)
linmin: converged after 2 iterations.
iteration 561: trace = 2.485865842155373 (1.03697e-07% change)
large trace change predicted (4.06423e-07%)
linmin: converged after 5 iterations.
iteration 562: trace = 2.485865832052445 (4.06415e-07% change)
linmin: converged after 3 iterations.
iteration 563: trace = 2.485865820573998 (4.61748e-07% change)
linmin: converged after 10 iterations.
iteration 564: trace = 2.485865816588163 (1.6034e-07% change)
large trace change predicted (6.88603e-07%)
linmin: converged after 3 iterations.
iteration 565: trace = 2.485865799471213 (6.88571e-07% change)
linmin: converged after 4 iterations.
iteration 566: trace = 2.485865790408108 (3.64585e-07% change)
linmin: converged after 12 iterations.
iteration 567: trace = 2.485865783371182 (2.83077e-07% change)
linmin: converged after 6 iterations.
iteration 568: trace = 2.485865772529407 (4.36137e-07% change)
linmin: converged after 3 iterations.
iteration 569: trace = 2.485865761566611 (4.41005e-07% change)
linmin: converged after 15 iterations.
iteration 570: trace = 2.485865756451572 (2.05765e-07% change)
large trace change predicted (8.11517e-07%)
linmin: converged after 17 iterations.
iteration 571: trace = 2.485865736277328 (8.11558e-07% change)
linmin: converged after 3 iterations.
iteration 572: trace = 2.485865726603568 (3.89151e-07% change)
linmin: converged after 17 iterations.
iteration 573: trace = 2.485865719003215 (3.05743e-07% change)
large trace change predicted (6.89724e-07%)
linmin: converged after 6 iterations.
iteration 574: trace = 2.485865701856612 (6.89764e-07% change)
linmin: converged after 3 iterations.
iteration 575: trace = 2.48586569682056 (2.02587e-07% change)
large trace change predicted (4.2037e-07%)
linmin: converged after 30 iterations.
iteration 576: trace = 2.48586568637046 (4.20381e-07% change)
linmin: converged after 3 iterations.
iteration 577: trace = 2.485865676963987 (3.78398e-07% change)
linmin: converged after 3 iterations.
iteration 578: trace = 2.485865669449849 (3.02274e-07% change)
linmin: converged after 4 iterations.
iteration 579: trace = 2.485865666637312 (1.13141e-07% change)
large trace change predicted (4.02875e-07%)
linmin: converged after 2 iterations.
iteration 580: trace = 2.485865656622382 (4.02875e-07% change)
linmin: converged after 7 iterations.
iteration 581: trace = 2.485865649578717 (2.83349e-07% change)
linmin: converged after 3 iterations.
iteration 582: trace = 2.485865643796943 (2.32586e-07% change)
linmin: converged after 4 iterations.
iteration 583: trace = 2.485865634275493 (3.83024e-07% change)
linmin: converged after 4 iterations.
iteration 584: trace = 2.485865629936387 (1.74551e-07% change)
linmin: converged after 5 iterations.
iteration 585: trace = 2.485865621585913 (3.35918e-07% change)
linmin: converged after 3 iterations.
iteration 586: trace = 2.485865612131176 (3.8034e-07% change)
linmin: converged after 19 iterations.
iteration 587: trace = 2.485865607162968 (1.99858e-07% change)
linmin: converged after 5 iterations.
iteration 588: trace = 2.485865600321092 (2.75231e-07% change)
linmin: converged after 3 iterations.
iteration 589: trace = 2.485865592565611 (3.11983e-07% change)
linmin: converged after 4 iterations.
iteration 590: trace = 2.485865582337389 (4.11455e-07% change)
linmin: converged after 4 iterations.
iteration 591: trace = 2.485865579894424 (9.82742e-08% change)
large trace change predicted (4.71046e-07%)
linmin: converged after 4 iterations.
iteration 592: trace = 2.485865568185215 (4.71031e-07% change)
linmin: converged after 4 iterations.
iteration 593: trace = 2.485865561376026 (2.73916e-07% change)
linmin: converged after 10 iterations.
iteration 594: trace = 2.485865557644762 (1.50099e-07% change)
linmin: converged after 4 iterations.
iteration 595: trace = 2.485865551599242 (2.43196e-07% change)
linmin: converged after 10 iterations.
iteration 596: trace = 2.485865547584703 (1.61495e-07% change)
linmin: converged after 4 iterations.
iteration 597: trace = 2.485865545003239 (1.03846e-07% change)
large trace change predicted (2.22066e-07%)
linmin: converged after 11 iterations.
iteration 598: trace = 2.485865539483061 (2.22063e-07% change)
linmin: converged after 4 iterations.
iteration 599: trace = 2.485865537475806 (8.07468e-08% change)
linmin: converged after 10 iterations.
iteration 600: trace = 2.48586553400883 (1.39468e-07% change)
large trace change predicted (3.1433e-07%)
linmin: converged after 29 iterations.
iteration 601: trace = 2.485865526195186 (3.14323e-07% change)
linmin: converged after 6 iterations.
iteration 602: trace = 2.485865524444503 (7.04255e-08% change)
large trace change predicted (3.51691e-07%)
linmin: converged after 29 iterations.
iteration 603: trace = 2.4858655157022 (3.5168e-07% change)
linmin: converged after 3 iterations.
iteration 604: trace = 2.485865512036334 (1.47468e-07% change)
linmin: converged after 3 iterations.
iteration 605: trace = 2.485865509036929 (1.20658e-07% change)
large trace change predicted (2.49265e-07%)
linmin: converged after 4 iterations.
iteration 606: trace = 2.485865502840596 (2.49263e-07% change)
linmin: converged after 4 iterations.
iteration 607: trace = 2.485865496739603 (2.45427e-07% change)
linmin: converged after 3 iterations.
iteration 608: trace = 2.485865493544551 (1.28529e-07% change)
large trace change predicted (3.03295e-07%)
linmin: converged after 2 iterations.
iteration 609: trace = 2.485865486005023 (3.03296e-07% change)
linmin: converged after 2 iterations.
iteration 610: trace = 2.485865478281951 (3.10679e-07% change)
linmin: converged after 9 iterations.
iteration 611: trace = 2.485865475093133 (1.28278e-07% change)
linmin: converged after 3 iterations.
iteration 612: trace = 2.485865470269514 (1.94042e-07% change)
linmin: converged after 3 iterations.
iteration 613: trace = 2.485865464656645 (2.25791e-07% change)
linmin: converged after 6 iterations.
iteration 614: trace = 2.485865463457966 (4.82198e-08% change)
large trace change predicted (1.26418e-07%)
linmin: converged after 3 iterations.
iteration 615: trace = 2.485865460315384 (1.26418e-07% change)
linmin: converged after 4 iterations.
iteration 616: trace = 2.485865457854387 (9.89996e-08% change)
linmin: converged after 10 iterations.
iteration 617: trace = 2.485865457051189 (3.23106e-08% change)
large trace change predicted (8.13637e-08%)
linmin: converged after 6 iterations.
iteration 618: trace = 2.485865455028589 (8.1364e-08% change)
large trace change predicted (1.66334e-07%)
linmin: converged after 6 iterations.
iteration 619: trace = 2.48586545089363 (1.66339e-07% change)
linmin: converged after 7 iterations.
iteration 620: trace = 2.485865449391608 (6.04225e-08% change)
large trace change predicted (1.2434e-07%)
linmin: converged after 3 iterations.
iteration 621: trace = 2.485865446300608 (1.24343e-07% change)
linmin: converged after 11 iterations.
iteration 622: trace = 2.485865443530234 (1.11445e-07% change)
linmin: converged after 4 iterations.
iteration 623: trace = 2.485865442437396 (4.3962e-08% change)
large trace change predicted (1.5659e-07%)
linmin: converged after 9 iterations.
iteration 624: trace = 2.485865438544738 (1.56592e-07% change)
linmin: converged after 5 iterations.
iteration 625: trace = 2.485865434233767 (1.73419e-07% change)
linmin: converged after 3 iterations.
iteration 626: trace = 2.485865432921712 (5.27806e-08% change)
large trace change predicted (1.31241e-07%)
linmin: converged after 4 iterations.
iteration 627: trace = 2.485865429659247 (1.31241e-07% change)
linmin: converged after 10 iterations.
iteration 628: trace = 2.485865424074237 (2.24671e-07% change)
linmin: converged after 4 iterations.
iteration 629: trace = 2.4858654189613 (2.0568e-07% change)
resetting CG direction...
linmin: converged after 9 iterations.
iteration 630: trace = 2.485865414673208 (1.72499e-07% change)
linmin: converged after 6 iterations.
iteration 631: trace = 2.485865410031079 (1.86741e-07% change)
linmin: converged after 3 iterations.
iteration 632: trace = 2.485865407406708 (1.05572e-07% change)
linmin: converged after 2 iterations.
iteration 633: trace = 2.485865406361928 (4.20288e-08% change)
large trace change predicted (1.56999e-07%)
linmin: converged after 10 iterations.
iteration 634: trace = 2.48586540245919 (1.56997e-07% change)
linmin: converged after 6 iterations.
iteration 635: trace = 2.48586540108244 (5.53831e-08% change)
linmin: converged after 4 iterations.
iteration 636: trace = 2.485865398698173 (9.5913e-08% change)
linmin: converged after 10 iterations.
iteration 637: trace = 2.485865396559737 (8.60238e-08% change)
linmin: converged after 4 iterations.
iteration 638: trace = 2.485865395319194 (4.99039e-08% change)
linmin: converged after 5 iterations.
iteration 639: trace = 2.485865393100004 (8.92723e-08% change)
linmin: converged after 6 iterations.
iteration 640: trace = 2.485865391050644 (8.24405e-08% change)
linmin: converged after 4 iterations.
iteration 641: trace = 2.485865390159427 (3.58514e-08% change)
large trace change predicted (7.74287e-08%)
linmin: converged after 8 iterations.
iteration 642: trace = 2.485865388234679 (7.74277e-08% change)
linmin: converged after 4 iterations.
iteration 643: trace = 2.485865386666726 (6.30747e-08% change)
linmin: converged after 4 iterations.
iteration 644: trace = 2.485865385934395 (2.94598e-08% change)
large trace change predicted (8.40095e-08%)
linmin: converged after 13 iterations.
iteration 645: trace = 2.485865383846058 (8.40084e-08% change)
linmin: converged after 10 iterations.
iteration 646: trace = 2.485865380374393 (1.39656e-07% change)
linmin: converged after 3 iterations.
iteration 647: trace = 2.48586537917629 (4.81966e-08% change)
large trace change predicted (1.63278e-07%)
linmin: converged after 4 iterations.
iteration 648: trace = 2.48586537511743 (1.63278e-07% change)
linmin: converged after 4 iterations.
iteration 649: trace = 2.485865371056728 (1.63352e-07% change)
linmin: converged after 5 iterations.
iteration 650: trace = 2.485865369229074 (7.35218e-08% change)
large trace change predicted (1.70757e-07%)
linmin: converged after 4 iterations.
iteration 651: trace = 2.485865364984301 (1.70756e-07% change)
linmin: converged after 4 iterations.
iteration 652: trace = 2.48586536070935 (1.7197e-07% change)
linmin: converged after 4 iterations.
iteration 653: trace = 2.485865359806858 (3.63049e-08% change)
large trace change predicted (9.38812e-08%)
linmin: converged after 3 iterations.
iteration 654: trace = 2.485865357473095 (9.38813e-08% change)
linmin: converged after 7 iterations.
iteration 655: trace = 2.485865354642338 (1.13874e-07% change)
linmin: converged after 4 iterations.
iteration 656: trace = 2.485865353927379 (2.8761e-08% change)
large trace change predicted (1.40748e-07%)
linmin: converged after 3 iterations.
iteration 657: trace = 2.485865350428529 (1.4075e-07% change)
linmin: converged after 12 iterations.
iteration 658: trace = 2.485865347466102 (1.19171e-07% change)
linmin: converged after 16 iterations.
iteration 659: trace = 2.485865346417917 (4.21658e-08% change)
large trace change predicted (9.11613e-08%)
linmin: converged after 4 iterations.
iteration 660: trace = 2.485865344151758 (9.11618e-08% change)
linmin: converged after 2 iterations.
iteration 661: trace = 2.485865342060137 (8.41406e-08% change)
linmin: converged after 9 iterations.
iteration 662: trace = 2.485865341421666 (2.56841e-08% change)
large trace change predicted (8.67118e-08%)
linmin: converged after 4 iterations.
iteration 663: trace = 2.485865339266117 (8.67122e-08% change)
linmin: converged after 4 iterations.
iteration 664: trace = 2.485865336522592 (1.10365e-07% change)
linmin: converged after 3 iterations.
iteration 665: trace = 2.485865335180294 (5.39972e-08% change)
linmin: converged after 5 iterations.
iteration 666: trace = 2.485865332796258 (9.59037e-08% change)
linmin: converged after 13 iterations.
iteration 667: trace = 2.485865329674657 (1.25574e-07% change)
linmin: converged after 6 iterations.
iteration 668: trace = 2.485865328824774 (3.41886e-08% change)
large trace change predicted (1.80662e-07%)
linmin: converged after 4 iterations.
iteration 669: trace = 2.485865324333723 (1.80663e-07% change)
linmin: converged after 5 iterations.
iteration 670: trace = 2.485865321742925 (1.04221e-07% change)
linmin: converged after 6 iterations.
iteration 671: trace = 2.485865320592151 (4.62927e-08% change)
linmin: converged after 4 iterations.
iteration 672: trace = 2.48586531844413 (8.64094e-08% change)
linmin: converged after 4 iterations.
iteration 673: trace = 2.48586531527262 (1.27582e-07% change)
linmin: converged after 18 iterations.
iteration 674: trace = 2.485865314729993 (2.18285e-08% change)
large trace change predicted (1.36886e-07%)
linmin: converged after 5 iterations.
iteration 675: trace = 2.485865311327138 (1.36888e-07% change)
linmin: converged after 5 iterations.
iteration 676: trace = 2.485865309542765 (7.17808e-08% change)
linmin: converged after 19 iterations.
iteration 677: trace = 2.485865308831797 (2.86004e-08% change)
large trace change predicted (1.20553e-07%)
linmin: converged after 5 iterations.
iteration 678: trace = 2.485865305835011 (1.20553e-07% change)
linmin: converged after 8 iterations.
iteration 679: trace = 2.485865303591792 (9.0239e-08% change)
linmin: converged after 6 iterations.
iteration 680: trace = 2.485865302919009 (2.70643e-08% change)
large trace change predicted (6.50814e-08%)
linmin: converged after 11 iterations.
iteration 681: trace = 2.485865301301208 (6.508e-08% change)
linmin: converged after 7 iterations.
iteration 682: trace = 2.485865299454421 (7.42915e-08% change)
linmin: converged after 5 iterations.
iteration 683: trace = 2.485865298778789 (2.71789e-08% change)
large trace change predicted (9.57574e-08%)
linmin: converged after 7 iterations.
iteration 684: trace = 2.485865296398433 (9.57556e-08% change)
linmin: converged after 4 iterations.
iteration 685: trace = 2.485865294618838 (7.15885e-08% change)
linmin: converged after 6 iterations.
iteration 686: trace = 2.485865292437984 (8.77302e-08% change)
linmin: converged after 4 iterations.
iteration 687: trace = 2.485865289262637 (1.27736e-07% change)
linmin: converged after 22 iterations.
iteration 688: trace = 2.485865287396805 (7.50576e-08% change)
linmin: converged after 3 iterations.
iteration 689: trace = 2.485865285632241 (7.09839e-08% change)
linmin: converged after 5 iterations.
iteration 690: trace = 2.485865283336916 (9.23351e-08% change)
linmin: converged after 4 iterations.
iteration 691: trace = 2.485865281778118 (6.27064e-08% change)
linmin: converged after 4 iterations.
iteration 692: trace = 2.485865280724808 (4.2372e-08% change)
linmin: converged after 8 iterations.
iteration 693: trace = 2.485865279314348 (5.67392e-08% change)
linmin: converged after 24 iterations.
iteration 694: trace = 2.485865277591477 (6.93067e-08% change)
linmin: converged after 4 iterations.
iteration 695: trace = 2.485865276676544 (3.68054e-08% change)
large trace change predicted (8.90046e-08%)
linmin: converged after 3 iterations.
iteration 696: trace = 2.485865274463961 (8.90065e-08% change)
linmin: converged after 4 iterations.
iteration 697: trace = 2.485865273159759 (5.24647e-08% change)
linmin: converged after 13 iterations.
iteration 698: trace = 2.485865272743319 (1.67523e-08% change)
linmin: converged after 5 iterations.
iteration 699: trace = 2.485865272023116 (2.89719e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 700: trace = 2.485865271415558 (2.44405e-08% change)
linmin: converged after 4 iterations.
iteration 701: trace = 2.485865271117603 (1.1986e-08% change)
large trace change predicted (5.14264e-08%)
linmin: converged after 4 iterations.
iteration 702: trace = 2.485865269839217 (5.14262e-08% change)
linmin: converged after 39 iterations.
iteration 703: trace = 2.485865268744354 (4.40435e-08% change)
linmin: converged after 4 iterations.
iteration 704: trace = 2.485865267852897 (3.5861e-08% change)
linmin: converged after 4 iterations.
iteration 705: trace = 2.485865266289203 (6.29034e-08% change)
linmin: converged after 31 iterations.
iteration 706: trace = 2.485865265494137 (3.19835e-08% change)
linmin: converged after 4 iterations.
iteration 707: trace = 2.485865264658684 (3.36082e-08% change)
large trace change predicted (7.3697e-08%)
linmin: converged after 4 iterations.
iteration 708: trace = 2.485865262826664 (7.36975e-08% change)
linmin: converged after 11 iterations.
iteration 709: trace = 2.485865262458677 (1.48032e-08% change)
large trace change predicted (6.33553e-08%)
linmin: converged after 4 iterations.
iteration 710: trace = 2.485865260883734 (6.33559e-08% change)
linmin: converged after 5 iterations.
iteration 711: trace = 2.48586525897413 (7.68185e-08% change)
linmin: converged after 4 iterations.
iteration 712: trace = 2.48586525712356 (7.44437e-08% change)
linmin: converged after 4 iterations.
iteration 713: trace = 2.485865256513271 (2.45504e-08% change)
large trace change predicted (7.99782e-08%)
linmin: converged after 12 iterations.
iteration 714: trace = 2.485865254525071 (7.99802e-08% change)
linmin: converged after 24 iterations.
iteration 715: trace = 2.485865253806515 (2.89057e-08% change)
linmin: converged after 4 iterations.
iteration 716: trace = 2.485865252938782 (3.49067e-08% change)
linmin: converged after 3 iterations.
iteration 717: trace = 2.485865251860567 (4.33738e-08% change)
linmin: converged after 2 iterations.
iteration 718: trace = 2.485865251188401 (2.70395e-08% change)
linmin: converged after 5 iterations.
iteration 719: trace = 2.485865250555583 (2.54566e-08% change)
linmin: converged after 4 iterations.
iteration 720: trace = 2.485865249319797 (4.97125e-08% change)
linmin: converged after 26 iterations.
iteration 721: trace = 2.48586524848038 (3.37676e-08% change)
linmin: converged after 3 iterations.
iteration 722: trace = 2.485865248003488 (1.91842e-08% change)
large trace change predicted (4.66138e-08%)
linmin: converged after 24 iterations.
iteration 723: trace = 2.485865246844736 (4.66136e-08% change)
linmin: converged after 4 iterations.
iteration 724: trace = 2.48586524597349 (3.5048e-08% change)
linmin: converged after 4 iterations.
iteration 725: trace = 2.485865245063576 (3.66035e-08% change)
linmin: converged after 3 iterations.
iteration 726: trace = 2.485865244054649 (4.05865e-08% change)
linmin: converged after 4 iterations.
iteration 727: trace = 2.485865243725575 (1.32378e-08% change)
large trace change predicted (3.13246e-08%)
linmin: converged after 6 iterations.
iteration 728: trace = 2.485865242946899 (3.13242e-08% change)
linmin: converged after 10 iterations.
iteration 729: trace = 2.485865241719817 (4.93623e-08% change)
linmin: converged after 6 iterations.
iteration 730: trace = 2.485865240670502 (4.22113e-08% change)
linmin: converged after 3 iterations.
iteration 731: trace = 2.485865240223687 (1.79742e-08% change)
large trace change predicted (3.89778e-08%)
linmin: converged after 5 iterations.
iteration 732: trace = 2.485865239254756 (3.89776e-08% change)
linmin: converged after 5 iterations.
iteration 733: trace = 2.485865238307129 (3.81206e-08% change)
linmin: converged after 4 iterations.
iteration 734: trace = 2.485865237943885 (1.46124e-08% change)
large trace change predicted (3.65838e-08%)
linmin: converged after 26 iterations.
iteration 735: trace = 2.485865237034468 (3.65835e-08% change)
linmin: converged after 24 iterations.
iteration 736: trace = 2.485865236627105 (1.63872e-08% change)
linmin: converged after 16 iterations.
iteration 737: trace = 2.485865236250152 (1.51639e-08% change)
linmin: converged after 4 iterations.
iteration 738: trace = 2.485865235607335 (2.58589e-08% change)
linmin: converged after 4 iterations.
iteration 739: trace = 2.485865235096384 (2.05543e-08% change)
linmin: converged after 6 iterations.
iteration 740: trace = 2.485865234862481 (9.40931e-09% change)
large trace change predicted (3.93846e-08%)
linmin: converged after 4 iterations.
iteration 741: trace = 2.485865233883437 (3.93845e-08% change)
linmin: converged after 4 iterations.
iteration 742: trace = 2.485865233228887 (2.63308e-08% change)
linmin: converged after 8 iterations.
iteration 743: trace = 2.485865232804265 (1.70815e-08% change)
linmin: converged after 6 iterations.
iteration 744: trace = 2.485865232250929 (2.22593e-08% change)
linmin: converged after 3 iterations.
iteration 745: trace = 2.485865231732347 (2.08612e-08% change)
linmin: converged after 4 iterations.
iteration 746: trace = 2.485865231288686 (1.78473e-08% change)
large trace change predicted (3.58944e-08%)
linmin: converged after 9 iterations.
iteration 747: trace = 2.485865230396402 (3.58943e-08% change)
linmin: converged after 4 iterations.
iteration 748: trace = 2.485865229966914 (1.72772e-08% change)
linmin: converged after 5 iterations.
iteration 749: trace = 2.485865229389344 (2.32342e-08% change)
linmin: converged after 34 iterations.
iteration 750: trace = 2.485865228489613 (3.61939e-08% change)
linmin: converged after 4 iterations.
iteration 751: trace = 2.485865228039602 (1.81028e-08% change)
linmin: converged after 3 iterations.
iteration 752: trace = 2.485865227351344 (2.76869e-08% change)
linmin: converged after 10 iterations.
iteration 753: trace = 2.485865226803621 (2.20335e-08% change)
linmin: converged after 20 iterations.
iteration 754: trace = 2.485865226590944 (8.55543e-09% change)
linmin: converged after 5 iterations.
iteration 755: trace = 2.485865226384067 (8.32212e-09% change)
linmin: converged after 4 iterations.
iteration 756: trace = 2.485865226057106 (1.31528e-08% change)
linmin: converged after 6 iterations.
iteration 757: trace = 2.485865225762772 (1.18403e-08% change)
linmin: converged after 4 iterations.
iteration 758: trace = 2.485865225642683 (4.83087e-09% change)
large trace change predicted (1.46655e-08%)
linmin: converged after 4 iterations.
iteration 759: trace = 2.485865225278115 (1.46657e-08% change)
linmin: converged after 12 iterations.
iteration 760: trace = 2.485865224985111 (1.17868e-08% change)
linmin: converged after 26 iterations.
iteration 761: trace = 2.485865224863446 (4.89425e-09% change)
large trace change predicted (1.99094e-08%)
linmin: converged after 4 iterations.
iteration 762: trace = 2.48586522436852 (1.99096e-08% change)
linmin: converged after 2 iterations.
iteration 763: trace = 2.485865223949761 (1.68456e-08% change)
linmin: converged after 7 iterations.
iteration 764: trace = 2.485865223741473 (8.37888e-09% change)
large trace change predicted (2.27835e-08%)
linmin: converged after 2 iterations.
iteration 765: trace = 2.485865223175105 (2.27835e-08% change)
linmin: converged after 3 iterations.
iteration 766: trace = 2.48586522293947 (9.479e-09% change)
linmin: converged after 3 iterations.
iteration 767: trace = 2.485865222696591 (9.77039e-09% change)
large trace change predicted (2.52911e-08%)
linmin: converged after 27 iterations.
iteration 768: trace = 2.485865222067885 (2.52912e-08% change)
linmin: converged after 4 iterations.
iteration 769: trace = 2.485865221437768 (2.5348e-08% change)
resetting CG direction...
linmin: converged after 22 iterations.
iteration 770: trace = 2.485865220865312 (2.30284e-08% change)
linmin: converged after 12 iterations.
iteration 771: trace = 2.485865220310167 (2.23321e-08% change)
linmin: converged after 5 iterations.
iteration 772: trace = 2.485865220107325 (8.1598e-09% change)
linmin: converged after 3 iterations.
iteration 773: trace = 2.485865219903554 (8.1972e-09% change)
large trace change predicted (1.74089e-08%)
linmin: converged after 4 iterations.
iteration 774: trace = 2.485865219470791 (1.74089e-08% change)
linmin: converged after 3 iterations.
iteration 775: trace = 2.485865219288953 (7.3149e-09% change)
linmin: converged after 4 iterations.
iteration 776: trace = 2.485865219062259 (9.11933e-09% change)
linmin: converged after 7 iterations.
iteration 777: trace = 2.485865218810099 (1.01437e-08% change)
linmin: converged after 4 iterations.
iteration 778: trace = 2.485865218608225 (8.12088e-09% change)
linmin: converged after 4 iterations.
iteration 779: trace = 2.485865218348002 (1.04681e-08% change)
linmin: converged after 8 iterations.
iteration 780: trace = 2.485865218041855 (1.23155e-08% change)
linmin: converged after 20 iterations.
iteration 781: trace = 2.485865217959228 (3.32385e-09% change)
large trace change predicted (9.75258e-09%)
linmin: converged after 4 iterations.
iteration 782: trace = 2.485865217716791 (9.75265e-09% change)
linmin: converged after 7 iterations.
iteration 783: trace = 2.4858652175314 (7.4578e-09% change)
linmin: converged after 20 iterations.
iteration 784: trace = 2.485865217452788 (3.16237e-09% change)
large trace change predicted (1.04855e-08%)
linmin: converged after 4 iterations.
iteration 785: trace = 2.485865217192133 (1.04855e-08% change)
linmin: converged after 19 iterations.
iteration 786: trace = 2.485865216834291 (1.4395e-08% change)
linmin: converged after 3 iterations.
iteration 787: trace = 2.485865216734612 (4.00986e-09% change)
large trace change predicted (2.1219e-08%)
linmin: converged after 4 iterations.
iteration 788: trace = 2.485865216207141 (2.12188e-08% change)
linmin: converged after 4 iterations.
iteration 789: trace = 2.485865215795744 (1.65494e-08% change)
linmin: converged after 2 iterations.
iteration 790: trace = 2.485865215593066 (8.15323e-09% change)
large trace change predicted (2.28273e-08%)
linmin: converged after 31 iterations.
iteration 791: trace = 2.485865215025612 (2.28272e-08% change)
linmin: converged after 4 iterations.
iteration 792: trace = 2.485865214614533 (1.65366e-08% change)
linmin: converged after 5 iterations.
iteration 793: trace = 2.485865214494209 (4.84032e-09% change)
large trace change predicted (1.01532e-08%)
linmin: converged after 13 iterations.
iteration 794: trace = 2.485865214241815 (1.01532e-08% change)
linmin: converged after 6 iterations.
iteration 795: trace = 2.485865213852176 (1.56742e-08% change)
linmin: converged after 18 iterations.
iteration 796: trace = 2.485865213720877 (5.28184e-09% change)
large trace change predicted (1.39191e-08%)
linmin: converged after 7 iterations.
iteration 797: trace = 2.485865213374864 (1.39192e-08% change)
linmin: converged after 4 iterations.
iteration 798: trace = 2.485865212945815 (1.72595e-08% change)
linmin: converged after 4 iterations.
iteration 799: trace = 2.48586521266099 (1.14578e-08% change)
linmin: converged after 13 iterations.
iteration 800: trace = 2.485865212567412 (3.7644e-09% change)
large trace change predicted (1.12588e-08%)
linmin: converged after 4 iterations.
iteration 801: trace = 2.485865212287532 (1.12588e-08% change)
linmin: converged after 18 iterations.
iteration 802: trace = 2.485865212026706 (1.04924e-08% change)
linmin: converged after 5 iterations.
iteration 803: trace = 2.485865211904198 (4.92819e-09% change)
linmin: converged after 2 iterations.
iteration 804: trace = 2.485865211667466 (9.52312e-09% change)
linmin: converged after 4 iterations.
iteration 805: trace = 2.485865211201899 (1.87286e-08% change)
linmin: converged after 16 iterations.
iteration 806: trace = 2.485865211081857 (4.82897e-09% change)
large trace change predicted (1.51917e-08%)
linmin: converged after 9 iterations.
iteration 807: trace = 2.485865210704213 (1.51917e-08% change)
linmin: converged after 12 iterations.
iteration 808: trace = 2.485865210293881 (1.65066e-08% change)
linmin: converged after 4 iterations.
iteration 809: trace = 2.485865210138886 (6.23504e-09% change)
large trace change predicted (1.39669e-08%)
linmin: converged after 2 iterations.
iteration 810: trace = 2.485865209791687 (1.39669e-08% change)
linmin: converged after 22 iterations.
iteration 811: trace = 2.485865209588846 (8.15979e-09% change)
linmin: converged after 4 iterations.
iteration 812: trace = 2.48586520947013 (4.77565e-09% change)
large trace change predicted (1.35224e-08%)
linmin: converged after 12 iterations.
iteration 813: trace = 2.485865209133982 (1.35224e-08% change)
linmin: converged after 38 iterations.
iteration 814: trace = 2.485865208976297 (6.34326e-09% change)
linmin: converged after 24 iterations.
iteration 815: trace = 2.485865208786199 (7.64718e-09% change)
linmin: converged after 3 iterations.
iteration 816: trace = 2.485865208499631 (1.15279e-08% change)
linmin: converged after 3 iterations.
iteration 817: trace = 2.485865208337084 (6.53884e-09% change)
linmin: converged after 8 iterations.
iteration 818: trace = 2.48586520806555 (1.09231e-08% change)
linmin: converged after 4 iterations.
iteration 819: trace = 2.485865207759708 (1.23032e-08% change)
linmin: converged after 18 iterations.
iteration 820: trace = 2.485865207673526 (3.46689e-09% change)
large trace change predicted (9.07615e-09%)
linmin: converged after 12 iterations.
iteration 821: trace = 2.485865207447906 (9.07611e-09% change)
linmin: converged after 16 iterations.
iteration 822: trace = 2.485865207210614 (9.54565e-09% change)
linmin: converged after 17 iterations.
iteration 823: trace = 2.485865207067391 (5.76149e-09% change)
linmin: converged after 7 iterations.
iteration 824: trace = 2.485865206864954 (8.14355e-09% change)
linmin: converged after 6 iterations.
iteration 825: trace = 2.48586520646312 (1.61647e-08% change)
linmin: converged after 23 iterations.
iteration 826: trace = 2.485865206110911 (1.41685e-08% change)
linmin: converged after 17 iterations.
iteration 827: trace = 2.485865205972392 (5.57226e-09% change)
large trace change predicted (1.2491e-08%)
linmin: converged after 4 iterations.
iteration 828: trace = 2.485865205661884 (1.2491e-08% change)
linmin: converged after 4 iterations.
iteration 829: trace = 2.485865205349487 (1.25669e-08% change)
linmin: converged after 4 iterations.
iteration 830: trace = 2.48586520529418 (2.22485e-09% change)
large trace change predicted (1.08175e-08%)
linmin: converged after 4 iterations.
iteration 831: trace = 2.485865205025275 (1.08174e-08% change)
linmin: converged after 4 iterations.
iteration 832: trace = 2.485865204878929 (5.88715e-09% change)
linmin: converged after 21 iterations.
iteration 833: trace = 2.485865204765346 (4.56913e-09% change)
linmin: converged after 6 iterations.
iteration 834: trace = 2.485865204589559 (7.07148e-09% change)
linmin: converged after 5 iterations.
iteration 835: trace = 2.485865204344899 (9.84206e-09% change)
linmin: converged after 4 iterations.
iteration 836: trace = 2.485865204291943 (2.13026e-09% change)
large trace change predicted (6.47316e-09%)
linmin: converged after 3 iterations.
iteration 837: trace = 2.485865204131031 (6.4731e-09% change)
linmin: converged after 17 iterations.
iteration 838: trace = 2.485865204034483 (3.88387e-09% change)
linmin: converged after 15 iterations.
iteration 839: trace = 2.485865203980557 (2.16931e-09% change)
resetting CG direction...
linmin: converged after 15 iterations.
iteration 840: trace = 2.485865203928408 (2.09782e-09% change)
linmin: converged after 19 iterations.
iteration 841: trace = 2.48586520383685 (3.68316e-09% change)
linmin: converged after 4 iterations.
iteration 842: trace = 2.485865203699446 (5.52739e-09% change)
linmin: converged after 22 iterations.
iteration 843: trace = 2.485865203646733 (2.12051e-09% change)
large trace change predicted (8.22698e-09%)
linmin: converged after 3 iterations.
iteration 844: trace = 2.485865203442224 (8.2269e-09% change)
linmin: converged after 4 iterations.
iteration 845: trace = 2.485865203352047 (3.62758e-09% change)
linmin: converged after 27 iterations.
iteration 846: trace = 2.485865203230271 (4.89872e-09% change)
linmin: converged after 6 iterations.
iteration 847: trace = 2.485865203104849 (5.04542e-09% change)
linmin: converged after 14 iterations.
iteration 848: trace = 2.485865203052855 (2.09158e-09% change)
large trace change predicted (7.5325e-09%)
linmin: converged after 5 iterations.
iteration 849: trace = 2.48586520286561 (7.5324e-09% change)
linmin: converged after 2 iterations.
iteration 850: trace = 2.485865202654902 (8.47622e-09% change)
linmin: converged after 23 iterations.
iteration 851: trace = 2.485865202588483 (2.67186e-09% change)
large trace change predicted (9.92203e-09%)
linmin: converged after 4 iterations.
iteration 852: trace = 2.485865202341836 (9.922e-09% change)
linmin: converged after 19 iterations.
iteration 853: trace = 2.48586520214702 (7.83692e-09% change)
linmin: converged after 19 iterations.
iteration 854: trace = 2.485865202073664 (2.95096e-09% change)
large trace change predicted (9.42943e-09%)
linmin: converged after 6 iterations.
iteration 855: trace = 2.485865201839256 (9.4296e-09% change)
linmin: converged after 4 iterations.
iteration 856: trace = 2.485865201700119 (5.59713e-09% change)
linmin: converged after 2 iterations.
iteration 857: trace = 2.485865201646803 (2.14477e-09% change)
large trace change predicted (5.53964e-09%)
linmin: converged after 4 iterations.
iteration 858: trace = 2.485865201509094 (5.53968e-09% change)
linmin: converged after 22 iterations.
iteration 859: trace = 2.485865201369287 (5.62409e-09% change)
linmin: converged after 18 iterations.
iteration 860: trace = 2.485865201238217 (5.2726e-09% change)
linmin: converged after 8 iterations.
iteration 861: trace = 2.485865201183991 (2.18137e-09% change)
large trace change predicted (7.48986e-09%)
linmin: converged after 21 iterations.
iteration 862: trace = 2.485865200997803 (7.48987e-09% change)
linmin: converged after 27 iterations.
iteration 863: trace = 2.485865200916401 (3.27461e-09% change)
linmin: converged after 13 iterations.
iteration 864: trace = 2.485865200850357 (2.65678e-09% change)
linmin: converged after 36 iterations.
iteration 865: trace = 2.485865200719296 (5.27225e-09% change)
linmin: converged after 6 iterations.
iteration 866: trace = 2.485865200655839 (2.55272e-09% change)
linmin: converged after 25 iterations.
iteration 867: trace = 2.485865200571492 (3.39304e-09% change)
linmin: converged after 4 iterations.
iteration 868: trace = 2.485865200458637 (4.53987e-09% change)
linmin: converged after 3 iterations.
iteration 869: trace = 2.485865200338493 (4.8331e-09% change)
linmin: converged after 9 iterations.
iteration 870: trace = 2.485865200280188 (2.34548e-09% change)
large trace change predicted (5.40977e-09%)
linmin: converged after 12 iterations.
iteration 871: trace = 2.485865200145709 (5.40973e-09% change)
linmin: converged after 13 iterations.
iteration 872: trace = 2.485865200015914 (5.22133e-09% change)
linmin: converged after 4 iterations.
iteration 873: trace = 2.485865199974659 (1.65957e-09% change)
large trace change predicted (4.14224e-09%)
linmin: converged after 4 iterations.
iteration 874: trace = 2.485865199871688 (4.14226e-09% change)
linmin: converged after 16 iterations.
iteration 875: trace = 2.485865199781076 (3.64509e-09% change)
linmin: converged after 2 iterations.
iteration 876: trace = 2.485865199752428 (1.15243e-09% change)
large trace change predicted (3.26878e-09%)
linmin: converged after 2 iterations.
iteration 877: trace = 2.485865199671171 (3.26879e-09% change)
linmin: converged after 12 iterations.
iteration 878: trace = 2.485865199583092 (3.54317e-09% change)
linmin: converged after 19 iterations.
iteration 879: trace = 2.485865199559318 (9.5638e-10% change)
large trace change predicted (3.28816e-09%)
linmin: converged after 15 iterations.
iteration 880: trace = 2.485865199477579 (3.28814e-09% change)
linmin: converged after 4 iterations.
iteration 881: trace = 2.485865199386177 (3.67687e-09% change)
linmin: converged after 2 iterations.
iteration 882: trace = 2.485865199345654 (1.63014e-09% change)
large trace change predicted (4.75452e-09%)
linmin: converged after 6 iterations.
iteration 883: trace = 2.485865199227466 (4.75442e-09% change)
linmin: converged after 13 iterations.
iteration 884: trace = 2.485865199191147 (1.461e-09% change)
linmin: converged after 5 iterations.
iteration 885: trace = 2.485865199140393 (2.04169e-09% change)
linmin: converged after 3 iterations.
iteration 886: trace = 2.485865199062937 (3.11587e-09% change)
linmin: converged after 24 iterations.
iteration 887: trace = 2.485865198999102 (2.56793e-09% change)
linmin: converged after 3 iterations.
iteration 888: trace = 2.485865198939075 (2.41472e-09% change)
large trace change predicted (4.94698e-09%)
linmin: converged after 16 iterations.
iteration 889: trace = 2.4858651988161 (4.94699e-09% change)
linmin: converged after 3 iterations.
iteration 890: trace = 2.485865198734328 (3.28948e-09% change)
linmin: converged after 7 iterations.
iteration 891: trace = 2.485865198693158 (1.65615e-09% change)
large trace change predicted (3.65933e-09%)
linmin: converged after 4 iterations.
iteration 892: trace = 2.485865198602191 (3.65938e-09% change)
linmin: converged after 4 iterations.
iteration 893: trace = 2.48586519854553 (2.27934e-09% change)
linmin: converged after 12 iterations.
iteration 894: trace = 2.485865198526149 (7.79646e-10% change)
large trace change predicted (1.63767e-09%)
linmin: converged after 4 iterations.
iteration 895: trace = 2.485865198485438 (1.6377e-09% change)
linmin: converged after 6 iterations.
iteration 896: trace = 2.485865198446647 (1.56047e-09% change)
linmin: converged after 5 iterations.
iteration 897: trace = 2.485865198404874 (1.6804e-09% change)
linmin: converged after 15 iterations.
iteration 898: trace = 2.485865198381024 (9.59435e-10% change)
linmin: converged after 21 iterations.
iteration 899: trace = 2.485865198340132 (1.64499e-09% change)
linmin: converged after 4 iterations.
iteration 900: trace = 2.485865198291408 (1.96005e-09% change)
linmin: converged after 9 iterations.
iteration 901: trace = 2.485865198268051 (9.39569e-10% change)
linmin: converged after 24 iterations.
iteration 902: trace = 2.485865198230728 (1.50143e-09% change)
linmin: converged after 4 iterations.
iteration 903: trace = 2.485865198181385 (1.98493e-09% change)
linmin: converged after 6 iterations.
iteration 904: trace = 2.485865198160242 (8.50514e-10% change)
large trace change predicted (2.59649e-09%)
linmin: converged after 8 iterations.
iteration 905: trace = 2.485865198095696 (2.59654e-09% change)
linmin: converged after 2 iterations.
iteration 906: trace = 2.485865198069126 (1.06884e-09% change)
linmin: converged after 4 iterations.
iteration 907: trace = 2.485865198038041 (1.25047e-09% change)
large trace change predicted (3.02402e-09%)
linmin: converged after 5 iterations.
iteration 908: trace = 2.485865197962871 (3.02392e-09% change)
linmin: converged after 12 iterations.
iteration 909: trace = 2.485865197867926 (3.81937e-09% change)
resetting CG direction...
linmin: converged after 27 iterations.
iteration 910: trace = 2.485865197779493 (3.55744e-09% change)
linmin: converged after 3 iterations.
iteration 911: trace = 2.485865197714815 (2.60183e-09% change)
linmin: converged after 4 iterations.
iteration 912: trace = 2.485865197690492 (9.78443e-10% change)
linmin: converged after 9 iterations.
iteration 913: trace = 2.485865197667755 (9.14666e-10% change)
large trace change predicted (2.03791e-09%)
linmin: converged after 19 iterations.
iteration 914: trace = 2.485865197617092 (2.03803e-09% change)
linmin: converged after 18 iterations.
iteration 915: trace = 2.485865197603817 (5.34008e-10% change)
large trace change predicted (1.636e-09%)
linmin: converged after 3 iterations.
iteration 916: trace = 2.485865197563149 (1.63597e-09% change)
linmin: converged after 3 iterations.
iteration 917: trace = 2.485865197534232 (1.16329e-09% change)
linmin: converged after 9 iterations.
iteration 918: trace = 2.485865197517445 (6.75281e-10% change)
large trace change predicted (1.50937e-09%)
linmin: converged after 4 iterations.
iteration 919: trace = 2.485865197479924 (1.50936e-09% change)
linmin: converged after 3 iterations.
iteration 920: trace = 2.485865197449738 (1.21433e-09% change)
linmin: converged after 18 iterations.
iteration 921: trace = 2.485865197431222 (7.44846e-10% change)
linmin: converged after 3 iterations.
iteration 922: trace = 2.485865197398013 (1.33593e-09% change)
linmin: converged after 15 iterations.
iteration 923: trace = 2.485865197383809 (5.71363e-10% change)
linmin: converged after 12 iterations.
iteration 924: trace = 2.485865197363209 (8.28684e-10% change)
linmin: converged after 6 iterations.
iteration 925: trace = 2.485865197330011 (1.33547e-09% change)
linmin: converged after 4 iterations.
iteration 926: trace = 2.485865197285912 (1.77399e-09% change)
linmin: converged after 5 iterations.
iteration 927: trace = 2.485865197268385 (7.05097e-10% change)
large trace change predicted (2.3754e-09%)
linmin: converged after 3 iterations.
iteration 928: trace = 2.485865197209335 (2.37543e-09% change)
linmin: converged after 18 iterations.
iteration 929: trace = 2.485865197152 (2.30642e-09% change)
linmin: converged after 15 iterations.
iteration 930: trace = 2.485865197128124 (9.60489e-10% change)
large trace change predicted (2.02515e-09%)
linmin: converged after 13 iterations.
iteration 931: trace = 2.485865197077779 (2.02522e-09% change)
linmin: converged after 6 iterations.
iteration 932: trace = 2.485865197025277 (2.11204e-09% change)
linmin: converged after 3 iterations.
iteration 933: trace = 2.485865197014812 (4.20979e-10% change)
large trace change predicted (1.51339e-09%)
linmin: converged after 15 iterations.
iteration 934: trace = 2.485865196977192 (1.51336e-09% change)
linmin: converged after 4 iterations.
iteration 935: trace = 2.485865196943954 (1.33709e-09% change)
linmin: converged after 4 iterations.
iteration 936: trace = 2.485865196894677 (1.98227e-09% change)
linmin: converged after 20 iterations.
iteration 937: trace = 2.48586519688186 (5.15607e-10% change)
large trace change predicted (2.08236e-09%)
linmin: converged after 6 iterations.
iteration 938: trace = 2.485865196830097 (2.08228e-09% change)
linmin: converged after 19 iterations.
iteration 939: trace = 2.485865196800589 (1.18705e-09% change)
linmin: converged after 2 iterations.
iteration 940: trace = 2.485865196785388 (6.11504e-10% change)
large trace change predicted (1.64881e-09%)
linmin: converged after 11 iterations.
iteration 941: trace = 2.485865196744399 (1.64885e-09% change)
linmin: converged after 9 iterations.
iteration 942: trace = 2.485865196717632 (1.07679e-09% change)
linmin: converged after 5 iterations.
iteration 943: trace = 2.485865196692838 (9.97397e-10% change)
linmin: converged after 6 iterations.
iteration 944: trace = 2.485865196652658 (1.61633e-09% change)
linmin: converged after 15 iterations.
iteration 945: trace = 2.485865196606591 (1.85318e-09% change)
linmin: converged after 18 iterations.
iteration 946: trace = 2.485865196590932 (6.29887e-10% change)
large trace change predicted (1.85795e-09%)
linmin: converged after 15 iterations.
iteration 947: trace = 2.485865196544747 (1.85792e-09% change)
linmin: converged after 10 iterations.
iteration 948: trace = 2.485865196504116 (1.6345e-09% change)
linmin: converged after 15 iterations.
iteration 949: trace = 2.485865196479669 (9.83409e-10% change)
linmin: converged after 14 iterations.
iteration 950: trace = 2.4858651964373 (1.70441e-09% change)
linmin: converged after 6 iterations.
iteration 951: trace = 2.485865196421519 (6.34853e-10% change)
linmin: converged after 6 iterations.
iteration 952: trace = 2.485865196401864 (7.90668e-10% change)
linmin: converged after 21 iterations.
iteration 953: trace = 2.485865196364467 (1.50438e-09% change)
linmin: converged after 4 iterations.
iteration 954: trace = 2.485865196329271 (1.41584e-09% change)
linmin: converged after 18 iterations.
iteration 955: trace = 2.485865196314101 (6.10236e-10% change)
linmin: converged after 21 iterations.
iteration 956: trace = 2.485865196290834 (9.35996e-10% change)
linmin: converged after 16 iterations.
iteration 957: trace = 2.485865196244984 (1.84441e-09% change)
linmin: converged after 10 iterations.
iteration 958: trace = 2.4858651962366 (3.37265e-10% change)
large trace change predicted (1.55062e-09%)
linmin: converged after 5 iterations.
iteration 959: trace = 2.485865196198053 (1.55066e-09% change)
linmin: converged after 21 iterations.
iteration 960: trace = 2.485865196165143 (1.32387e-09% change)
linmin: converged after 3 iterations.
iteration 961: trace = 2.485865196154426 (4.31108e-10% change)
large trace change predicted (1.15665e-09%)
linmin: converged after 21 iterations.
iteration 962: trace = 2.485865196125674 (1.15662e-09% change)
linmin: converged after 8 iterations.
iteration 963: trace = 2.485865196089094 (1.47154e-09% change)
linmin: converged after 10 iterations.
iteration 964: trace = 2.485865196076043 (5.25004e-10% change)
large trace change predicted (1.88293e-09%)
linmin: converged after 7 iterations.
iteration 965: trace = 2.485865196029238 (1.88285e-09% change)
linmin: converged after 21 iterations.
iteration 966: trace = 2.485865195985069 (1.77677e-09% change)
linmin: converged after 7 iterations.
iteration 967: trace = 2.485865195949636 (1.42541e-09% change)
linmin: converged after 10 iterations.
iteration 968: trace = 2.485865195932265 (6.98791e-10% change)
large trace change predicted (1.48707e-09%)
linmin: converged after 18 iterations.
iteration 969: trace = 2.4858651958953 (1.48699e-09% change)
linmin: converged after 6 iterations.
iteration 970: trace = 2.485865195875271 (8.0571e-10% change)
linmin: converged after 5 iterations.
iteration 971: trace = 2.485865195858119 (6.89966e-10% change)
linmin: converged after 9 iterations.
iteration 972: trace = 2.485865195839179 (7.61924e-10% change)
linmin: converged after 11 iterations.
iteration 973: trace = 2.485865195818592 (8.28148e-10% change)
linmin: converged after 10 iterations.
iteration 974: trace = 2.485865195808338 (4.12493e-10% change)
large trace change predicted (1.15629e-09%)
linmin: converged after 4 iterations.
iteration 975: trace = 2.485865195779595 (1.15627e-09% change)
linmin: converged after 7 iterations.
iteration 976: trace = 2.485865195767748 (4.76591e-10% change)
linmin: converged after 10 iterations.
iteration 977: trace = 2.485865195754008 (5.52712e-10% change)
linmin: converged after 11 iterations.
iteration 978: trace = 2.485865195742006 (4.82808e-10% change)
linmin: converged after 4 iterations.
iteration 979: trace = 2.485865195735699 (2.53731e-10% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 980: trace = 2.485865195729538 (2.47817e-10% change)
linmin: converged after 7 iterations.
iteration 981: trace = 2.485865195718167 (4.5744e-10% change)
linmin: converged after 10 iterations.
iteration 982: trace = 2.485865195706118 (4.84702e-10% change)
linmin: converged after 4 iterations.
iteration 983: trace = 2.48586519569485 (4.53278e-10% change)
large trace change predicted (9.8525e-10%)
linmin: converged after 16 iterations.
iteration 984: trace = 2.48586519567036 (9.85178e-10% change)
linmin: converged after 14 iterations.
iteration 985: trace = 2.485865195662614 (3.11612e-10% change)
large trace change predicted (6.89496e-10%)
linmin: converged after 25 iterations.
iteration 986: trace = 2.485865195645474 (6.89465e-10% change)
linmin: converged after 10 iterations.
iteration 987: trace = 2.485865195630695 (5.94533e-10% change)
linmin: converged after 3 iterations.
iteration 988: trace = 2.485865195623671 (2.82546e-10% change)
large trace change predicted (8.36744e-10%)
linmin: converged after 12 iterations.
iteration 989: trace = 2.485865195602871 (8.36741e-10% change)
linmin: converged after 3 iterations.
iteration 990: trace = 2.485865195577373 (1.02573e-09% change)
linmin: converged after 12 iterations.
iteration 991: trace = 2.485865195569374 (3.21795e-10% change)
large trace change predicted (1.18579e-09%)
linmin: converged after 15 iterations.
iteration 992: trace = 2.485865195539894 (1.18587e-09% change)
linmin: converged after 16 iterations.
iteration 993: trace = 2.485865195513663 (1.05524e-09% change)
linmin: converged after 6 iterations.
iteration 994: trace = 2.485865195504994 (3.48734e-10% change)
large trace change predicted (1.19964e-09%)
linmin: converged after 22 iterations.
iteration 995: trace = 2.485865195475174 (1.19955e-09% change)
linmin: converged after 5 iterations.
iteration 996: trace = 2.485865195453173 (8.85047e-10% change)
linmin: converged after 6 iterations.
iteration 997: trace = 2.485865195444979 (3.29637e-10% change)
linmin: converged after 5 iterations.
iteration 998: trace = 2.485865195431235 (5.52873e-10% change)
linmin: converged after 17 iterations.
iteration 999: trace = 2.48586519541321 (7.25087e-10% change)
linmin: converged after 6 iterations.
iteration 1000: trace = 2.485865195407233 (2.40475e-10% change)
large trace change predicted (7.1572e-10%)
linmin: converged after 4 iterations.
iteration 1001: trace = 2.485865195389439 (7.15798e-10% change)
linmin: converged after 4 iterations.
iteration 1002: trace = 2.485865195366087 (9.39391e-10% change)
linmin: converged after 4 iterations.
iteration 1003: trace = 2.48586519535643 (3.88465e-10% change)
linmin: converged after 16 iterations.
iteration 1004: trace = 2.485865195348283 (3.27743e-10% change)
linmin: converged after 16 iterations.
iteration 1005: trace = 2.485865195332919 (6.18061e-10% change)
linmin: converged after 12 iterations.
iteration 1006: trace = 2.485865195325522 (2.97552e-10% change)
linmin: converged after 5 iterations.
iteration 1007: trace = 2.485865195315592 (3.9947e-10% change)
linmin: converged after 18 iterations.
iteration 1008: trace = 2.485865195302418 (5.29953e-10% change)
linmin: converged after 14 iterations.
iteration 1009: trace = 2.48586519528831 (5.67504e-10% change)
linmin: converged after 3 iterations.
iteration 1010: trace = 2.485865195282737 (2.242e-10% change)
large trace change predicted (7.19285e-10%)
linmin: converged after 6 iterations.
iteration 1011: trace = 2.485865195264858 (7.19228e-10% change)
linmin: converged after 6 iterations.
iteration 1012: trace = 2.485865195247599 (6.94289e-10% change)
linmin: converged after 4 iterations.
iteration 1013: trace = 2.485865195239529 (3.24635e-10% change)
linmin: converged after 3 iterations.
iteration 1014: trace = 2.485865195229751 (3.93342e-10% change)
linmin: converged after 3 iterations.
iteration 1015: trace = 2.485865195216892 (5.17304e-10% change)
linmin: converged after 4 iterations.
iteration 1016: trace = 2.485865195212109 (1.92401e-10% change)
linmin: converged after 6 iterations.
iteration 1017: trace = 2.485865195203397 (3.50431e-10% change)
linmin: converged after 3 iterations.
iteration 1018: trace = 2.48586519519056 (5.16429e-10% change)
linmin: converged after 4 iterations.
iteration 1019: trace = 2.485865195187408 (1.26767e-10% change)
large trace change predicted (3.78648e-10%)
linmin: converged after 18 iterations.
iteration 1020: trace = 2.485865195177993 (3.78747e-10% change)
linmin: converged after 10 iterations.
iteration 1021: trace = 2.485865195163123 (5.98177e-10% change)
linmin: converged after 3 iterations.
iteration 1022: trace = 2.485865195156914 (2.498e-10% change)
linmin: converged after 3 iterations.
iteration 1023: trace = 2.48586519514668 (4.11671e-10% change)
linmin: converged after 3 iterations.
iteration 1024: trace = 2.485865195138649 (3.23081e-10% change)
linmin: converged after 8 iterations.
iteration 1025: trace = 2.485865195132884 (2.31918e-10% change)
linmin: converged after 15 iterations.
iteration 1026: trace = 2.485865195127163 (2.30131e-10% change)
large trace change predicted (4.92127e-10%)
linmin: converged after 4 iterations.
iteration 1027: trace = 2.48586519511493 (4.92115e-10% change)
linmin: converged after 5 iterations.
iteration 1028: trace = 2.485865195111738 (1.28393e-10% change)
large trace change predicted (5.51697e-10%)
linmin: converged after 3 iterations.
iteration 1029: trace = 2.48586519509802 (5.51819e-10% change)
linmin: converged after 4 iterations.
iteration 1030: trace = 2.485865195086531 (4.62192e-10% change)
linmin: converged after 12 iterations.
iteration 1031: trace = 2.485865195082156 (1.76002e-10% change)
large trace change predicted (4.23674e-10%)
linmin: converged after 5 iterations.
iteration 1032: trace = 2.485865195071622 (4.2373e-10% change)
linmin: converged after 5 iterations.
iteration 1033: trace = 2.485865195063092 (3.43143e-10% change)
linmin: converged after 8 iterations.
iteration 1034: trace = 2.485865195058281 (1.93563e-10% change)
linmin: converged after 3 iterations.
iteration 1035: trace = 2.48586519505634 (7.8086e-11% change)
Finished solving for bands 1 to 10 after 1035 iterations.
tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894
elapsed time for k point: 23.39305830001831
solve_kpoint (0.5,0.333333,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
iteration 1: trace = 2.624860521618544 (2.69642% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.610953190274542 (0.531239% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.601889502713794 (0.347745% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.600356527115023 (0.0589351% change)
large trace change predicted (0.133101%)
linmin: converged after 4 iterations.
iteration 5: trace = 2.596948739451574 (0.131137% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.59637195673933 (0.0222125% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.595542822108817 (0.0319395% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.595152272227645 (0.0150481% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.594847304055892 (0.0117521% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.594454354679778 (0.0151446% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.594326218334966 (0.00493898% change)
large trace change predicted (0.0216464%)
linmin: converged after 4 iterations.
iteration 12: trace = 2.59377725804431 (0.0211623% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.59351194519011 (0.0102293% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.593177804948497 (0.0128845% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.592759541877131 (0.0161307% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.592616450337081 (0.00551904% change)
large trace change predicted (0.0234744%)
linmin: converged after 6 iterations.
iteration 17: trace = 2.592030992157174 (0.0225843% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.591838798349907 (0.00741507% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.591510380906076 (0.012672% change)
linmin: converged after 24 iterations.
iteration 20: trace = 2.591143477406139 (0.0141589% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.591058370891482 (0.00328457% change)
large trace change predicted (0.0106641%)
linmin: converged after 4 iterations.
iteration 22: trace = 2.590787468655928 (0.0104558% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.590682206926354 (0.00406301% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.590536715489336 (0.00561611% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.590316103030832 (0.00851645% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.590262773503845 (0.00205883% change)
large trace change predicted (0.00488929%)
linmin: converged after 3 iterations.
iteration 27: trace = 2.590136126018992 (0.00488949% change)
linmin: converged after 3 iterations.
iteration 28: trace = 2.59006415221636 (0.0027788% change)
linmin: converged after 3 iterations.
iteration 29: trace = 2.589967059741261 (0.00374872% change)
linmin: converged after 6 iterations.
iteration 30: trace = 2.58984703354588 (0.00463438% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.589779805109319 (0.00259588% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.589656245739652 (0.00477115% change)
linmin: converged after 3 iterations.
iteration 33: trace = 2.589592317183004 (0.00246864% change)
large trace change predicted (0.0058733%)
linmin: converged after 3 iterations.
iteration 34: trace = 2.589438799786502 (0.00592842% change)
linmin: converged after 3 iterations.
iteration 35: trace = 2.589299452439772 (0.00538152% change)
linmin: converged after 3 iterations.
iteration 36: trace = 2.589151667919612 (0.00570767% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.588877424791422 (0.0105926% change)
linmin: converged after 3 iterations.
iteration 38: trace = 2.588758943947076 (0.00457664% change)
large trace change predicted (0.0103813%)
linmin: converged after 3 iterations.
iteration 39: trace = 2.588487298044556 (0.0104938% change)
linmin: converged after 3 iterations.
iteration 40: trace = 2.588238628793924 (0.0096072% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.588129511987392 (0.00421596% change)
large trace change predicted (0.00966115%)
linmin: converged after 3 iterations.
iteration 42: trace = 2.587877945573201 (0.00972048% change)
linmin: converged after 4 iterations.
iteration 43: trace = 2.587755245936565 (0.00474143% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.587559949936852 (0.00754721% change)
linmin: converged after 4 iterations.
iteration 45: trace = 2.587201554185449 (0.0138517% change)
linmin: converged after 3 iterations.
iteration 46: trace = 2.587078783260084 (0.00474543% change)
large trace change predicted (0.0134462%)
linmin: converged after 11 iterations.
iteration 47: trace = 2.586730945154498 (0.0134461% change)
linmin: converged after 4 iterations.
iteration 48: trace = 2.586416748640698 (0.0121472% change)
linmin: converged after 4 iterations.
iteration 49: trace = 2.58617269284236 (0.0094365% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.585801979697706 (0.0143355% change)
linmin: converged after 3 iterations.
iteration 51: trace = 2.585704615333812 (0.00376542% change)
large trace change predicted (0.00796062%)
linmin: converged after 4 iterations.
iteration 52: trace = 2.585499823527465 (0.00792047% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.585309103142582 (0.00737681% change)
linmin: converged after 4 iterations.
iteration 54: trace = 2.585225685346267 (0.00322666% change)
large trace change predicted (0.00858072%)
linmin: converged after 4 iterations.
iteration 55: trace = 2.585005388880063 (0.00852173% change)
linmin: converged after 4 iterations.
iteration 56: trace = 2.584916436170431 (0.00344116% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.584748118065533 (0.00651176% change)
linmin: converged after 4 iterations.
iteration 58: trace = 2.584504243703837 (0.00943558% change)
linmin: converged after 5 iterations.
iteration 59: trace = 2.58441870929796 (0.00330956% change)
large trace change predicted (0.00842777%)
linmin: converged after 4 iterations.
iteration 60: trace = 2.584201832061457 (0.00839207% change)
linmin: converged after 4 iterations.
iteration 61: trace = 2.584099116928128 (0.00397481% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.583934387426116 (0.00637494% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.583709086143977 (0.00871969% change)
linmin: converged after 4 iterations.
iteration 64: trace = 2.583615303596189 (0.00362983% change)
large trace change predicted (0.00904912%)
linmin: converged after 4 iterations.
iteration 65: trace = 2.583383065985255 (0.00898927% change)
linmin: converged after 4 iterations.
iteration 66: trace = 2.583261817052908 (0.00469353% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.583112578823719 (0.00577729% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.582958408053899 (0.00596859% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.582869907040918 (0.0034264% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.582791348541924 (0.00304157% change)
linmin: converged after 4 iterations.
iteration 71: trace = 2.582689741007504 (0.0039341% change)
linmin: converged after 3 iterations.
iteration 72: trace = 2.582487366629814 (0.00783611% change)
linmin: converged after 4 iterations.
iteration 73: trace = 2.582430453958849 (0.00220382% change)
large trace change predicted (0.00655171%)
linmin: converged after 3 iterations.
iteration 74: trace = 2.582260864559661 (0.00656726% change)
linmin: converged after 3 iterations.
iteration 75: trace = 2.582143021268454 (0.00456367% change)
linmin: converged after 3 iterations.
iteration 76: trace = 2.582089107295908 (0.00208798% change)
linmin: converged after 3 iterations.
iteration 77: trace = 2.581989431924498 (0.00386034% change)
linmin: converged after 3 iterations.
iteration 78: trace = 2.581949472930305 (0.00154762% change)
linmin: converged after 3 iterations.
iteration 79: trace = 2.581896459257402 (0.00205326% change)
linmin: converged after 3 iterations.
iteration 80: trace = 2.581814632582808 (0.0031693% change)
linmin: converged after 8 iterations.
iteration 81: trace = 2.581795111738478 (0.000756093% change)
large trace change predicted (0.00246215%)
linmin: converged after 3 iterations.
iteration 82: trace = 2.581731376217022 (0.00246868% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.581679824632536 (0.0019968% change)
linmin: converged after 3 iterations.
iteration 84: trace = 2.581660367994335 (0.000753645% change)
large trace change predicted (0.00226661%)
linmin: converged after 3 iterations.
iteration 85: trace = 2.581601717821526 (0.00227183% change)
linmin: converged after 3 iterations.
iteration 86: trace = 2.581512345867647 (0.00346194% change)
linmin: converged after 3 iterations.
iteration 87: trace = 2.581471227992637 (0.0015928% change)
large trace change predicted (0.00460237%)
linmin: converged after 3 iterations.
iteration 88: trace = 2.581352116263461 (0.00461421% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.581296779531606 (0.00214373% change)
linmin: converged after 3 iterations.
iteration 90: trace = 2.581194600924959 (0.0039585% change)
linmin: converged after 3 iterations.
iteration 91: trace = 2.581064488612853 (0.00504091% change)
linmin: converged after 5 iterations.
iteration 92: trace = 2.581038716555532 (0.00099851% change)
large trace change predicted (0.0040394%)
linmin: converged after 5 iterations.
iteration 93: trace = 2.58093458776426 (0.00403446% change)
linmin: converged after 5 iterations.
iteration 94: trace = 2.580892432238924 (0.00163336% change)
linmin: converged after 4 iterations.
iteration 95: trace = 2.580844724890247 (0.0018485% change)
linmin: converged after 6 iterations.
iteration 96: trace = 2.580750183705137 (0.00366325% change)
linmin: converged after 3 iterations.
iteration 97: trace = 2.580717828611179 (0.00125372% change)
large trace change predicted (0.0030374%)
linmin: converged after 5 iterations.
iteration 98: trace = 2.580639620565305 (0.00303052% change)
linmin: converged after 3 iterations.
iteration 99: trace = 2.58058680556341 (0.00204661% change)
linmin: converged after 4 iterations.
iteration 100: trace = 2.580568646580939 (0.000703679% change)
large trace change predicted (0.00145474%)
linmin: converged after 4 iterations.
iteration 101: trace = 2.580531174749226 (0.00145209% change)
linmin: converged after 6 iterations.
iteration 102: trace = 2.580515821400738 (0.00059497% change)
linmin: converged after 3 iterations.
iteration 103: trace = 2.580499610257485 (0.000628215% change)
linmin: converged after 4 iterations.
iteration 104: trace = 2.580473844714205 (0.000998476% change)
linmin: converged after 3 iterations.
iteration 105: trace = 2.580463057663908 (0.000418027% change)
large trace change predicted (0.00115936%)
linmin: converged after 5 iterations.
iteration 106: trace = 2.580433181712845 (0.00115778% change)
linmin: converged after 4 iterations.
iteration 107: trace = 2.580404842706844 (0.00109823% change)
linmin: converged after 3 iterations.
iteration 108: trace = 2.580391220614823 (0.000527907% change)
large trace change predicted (0.00162401%)
linmin: converged after 6 iterations.
iteration 109: trace = 2.58034938545596 (0.00162129% change)
linmin: converged after 4 iterations.
iteration 110: trace = 2.580298612764278 (0.00196769% change)
linmin: converged after 4 iterations.
iteration 111: trace = 2.580288508159597 (0.000391607% change)
large trace change predicted (0.00143953%)
linmin: converged after 4 iterations.
iteration 112: trace = 2.580251404412864 (0.00143798% change)
linmin: converged after 3 iterations.
iteration 113: trace = 2.58023664525397 (0.000572006% change)
linmin: converged after 11 iterations.
iteration 114: trace = 2.580210094826152 (0.001029% change)
linmin: converged after 3 iterations.
iteration 115: trace = 2.58015741422241 (0.00204174% change)
linmin: converged after 4 iterations.
iteration 116: trace = 2.58014461711526 (0.000495983% change)
large trace change predicted (0.00229676%)
linmin: converged after 3 iterations.
iteration 117: trace = 2.580085296752692 (0.00229914% change)
linmin: converged after 3 iterations.
iteration 118: trace = 2.580043058127242 (0.00163712% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.580026058405644 (0.000658895% change)
large trace change predicted (0.00241022%)
linmin: converged after 3 iterations.
iteration 120: trace = 2.57996378178859 (0.00241383% change)
linmin: converged after 3 iterations.
iteration 121: trace = 2.579916640550724 (0.00182722% change)
linmin: converged after 3 iterations.
iteration 122: trace = 2.579904056238242 (0.000487781% change)
large trace change predicted (0.00145245%)
linmin: converged after 3 iterations.
iteration 123: trace = 2.579866542252547 (0.0014541% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.579847592337901 (0.000734534% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.579816281551699 (0.00121368% change)
linmin: converged after 4 iterations.
iteration 126: trace = 2.579774349284264 (0.00162541% change)
linmin: converged after 3 iterations.
iteration 127: trace = 2.579756590919291 (0.000688371% change)
large trace change predicted (0.00190679%)
linmin: converged after 3 iterations.
iteration 128: trace = 2.579707395141529 (0.00190701% change)
linmin: converged after 4 iterations.
iteration 129: trace = 2.579653617637238 (0.00208466% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.579637916552168 (0.000608653% change)
large trace change predicted (0.00175039%)
linmin: converged after 4 iterations.
iteration 131: trace = 2.579592840731829 (0.00174739% change)
linmin: converged after 4 iterations.
iteration 132: trace = 2.579574096929589 (0.000726621% change)
linmin: converged after 3 iterations.
iteration 133: trace = 2.579568114449036 (0.000231918% change)
large trace change predicted (0.001722%)
linmin: converged after 4 iterations.
iteration 134: trace = 2.579523666343963 (0.0017231% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.579512581470192 (0.000429727% change)
linmin: converged after 3 iterations.
iteration 136: trace = 2.579493216582579 (0.000750722% change)
linmin: converged after 3 iterations.
iteration 137: trace = 2.579467345140199 (0.00100297% change)
linmin: converged after 3 iterations.
iteration 138: trace = 2.579459760113513 (0.000294054% change)
large trace change predicted (0.00116611%)
linmin: converged after 8 iterations.
iteration 139: trace = 2.579429699942999 (0.00116537% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.579415960578535 (0.000532653% change)
linmin: converged after 4 iterations.
iteration 141: trace = 2.579409114902801 (0.000265397% change)
linmin: converged after 7 iterations.
iteration 142: trace = 2.579396475750914 (0.000490003% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.579389496853502 (0.000270564% change)
linmin: converged after 6 iterations.
iteration 144: trace = 2.579378564721089 (0.000423827% change)
linmin: converged after 4 iterations.
iteration 145: trace = 2.57935911532702 (0.000754037% change)
linmin: converged after 4 iterations.
iteration 146: trace = 2.579354333271482 (0.000185397% change)
large trace change predicted (0.000499916%)
linmin: converged after 4 iterations.
iteration 147: trace = 2.579341448525281 (0.000499535% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.579326843829279 (0.00056622% change)
linmin: converged after 4 iterations.
iteration 149: trace = 2.579321332211588 (0.000213685% change)
large trace change predicted (0.000602531%)
linmin: converged after 3 iterations.
iteration 150: trace = 2.579305792334234 (0.000602481% change)
linmin: converged after 4 iterations.
iteration 151: trace = 2.579295529599734 (0.000397888% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.579281579557514 (0.000540848% change)
linmin: converged after 4 iterations.
iteration 153: trace = 2.579262991642048 (0.000720665% change)
linmin: converged after 4 iterations.
iteration 154: trace = 2.579257834287736 (0.000199955% change)
large trace change predicted (0.000501703%)
linmin: converged after 5 iterations.
iteration 155: trace = 2.579244893868627 (0.000501712% change)
linmin: converged after 12 iterations.
iteration 156: trace = 2.579230291884151 (0.000566136% change)
linmin: converged after 3 iterations.
iteration 157: trace = 2.579225933151878 (0.000168994% change)
large trace change predicted (0.000602353%)
linmin: converged after 28 iterations.
iteration 158: trace = 2.579210404201151 (0.00060208% change)
linmin: converged after 3 iterations.
iteration 159: trace = 2.579202201581079 (0.000318029% change)
linmin: converged after 3 iterations.
iteration 160: trace = 2.579194288343271 (0.00030681% change)
linmin: converged after 3 iterations.
iteration 161: trace = 2.579183234657636 (0.000428572% change)
linmin: converged after 3 iterations.
iteration 162: trace = 2.579177094550377 (0.000238064% change)
linmin: converged after 4 iterations.
iteration 163: trace = 2.57916659339966 (0.000407152% change)
linmin: converged after 6 iterations.
iteration 164: trace = 2.579151163030524 (0.000598271% change)
linmin: converged after 3 iterations.
iteration 165: trace = 2.579147648594193 (0.000136263% change)
large trace change predicted (0.000303338%)
linmin: converged after 4 iterations.
iteration 166: trace = 2.57913982732519 (0.000303251% change)
linmin: converged after 3 iterations.
iteration 167: trace = 2.579133123981774 (0.000259907% change)
linmin: converged after 3 iterations.
iteration 168: trace = 2.579130526048661 (0.000100729% change)
large trace change predicted (0.000322419%)
linmin: converged after 3 iterations.
iteration 169: trace = 2.579122206736161 (0.000322563% change)
linmin: converged after 4 iterations.
iteration 170: trace = 2.579119316372324 (0.000112068% change)
linmin: converged after 4 iterations.
iteration 171: trace = 2.579114500842551 (0.000186712% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.579109325546197 (0.000200662% change)
linmin: converged after 3 iterations.
iteration 173: trace = 2.579107944741859 (5.3538e-05% change)
large trace change predicted (0.000194876%)
linmin: converged after 3 iterations.
iteration 174: trace = 2.579102915570909 (0.000194997% change)
linmin: converged after 11 iterations.
iteration 175: trace = 2.579098411465147 (0.000174639% change)
linmin: converged after 3 iterations.
iteration 176: trace = 2.579096620862684 (6.94275e-05% change)
large trace change predicted (0.000229779%)
linmin: converged after 3 iterations.
iteration 177: trace = 2.57909068903246 (0.000229997% change)
linmin: converged after 3 iterations.
iteration 178: trace = 2.57908722597381 (0.000134274% change)
linmin: converged after 4 iterations.
iteration 179: trace = 2.579085275581576 (7.56234e-05% change)
large trace change predicted (0.000238926%)
linmin: converged after 3 iterations.
iteration 180: trace = 2.579079110485394 (0.000239042% change)
linmin: converged after 4 iterations.
iteration 181: trace = 2.579077118821251 (7.72239e-05% change)
large trace change predicted (0.000245839%)
linmin: converged after 4 iterations.
iteration 182: trace = 2.579070776674144 (0.000245908% change)
linmin: converged after 4 iterations.
iteration 183: trace = 2.579062519937734 (0.000320144% change)
linmin: converged after 4 iterations.
iteration 184: trace = 2.579059772313992 (0.000106536% change)
large trace change predicted (0.000240066%)
linmin: converged after 3 iterations.
iteration 185: trace = 2.579053579658166 (0.000240113% change)
linmin: converged after 4 iterations.
iteration 186: trace = 2.579045264581167 (0.000322409% change)
linmin: converged after 4 iterations.
iteration 187: trace = 2.579042485940616 (0.000107739% change)
large trace change predicted (0.000296458%)
linmin: converged after 3 iterations.
iteration 188: trace = 2.579034843461428 (0.000296331% change)
linmin: converged after 4 iterations.
iteration 189: trace = 2.579032597962294 (8.70675e-05% change)
linmin: converged after 4 iterations.
iteration 190: trace = 2.579028655164773 (0.000152879% change)
linmin: converged after 4 iterations.
iteration 191: trace = 2.579022910879041 (0.000222731% change)
linmin: converged after 7 iterations.
iteration 192: trace = 2.579021622787959 (4.99449e-05% change)
large trace change predicted (0.000203214%)
linmin: converged after 3 iterations.
iteration 193: trace = 2.579016385227683 (0.000203083% change)
linmin: converged after 7 iterations.
iteration 194: trace = 2.579010649159224 (0.000222413% change)
linmin: converged after 4 iterations.
iteration 195: trace = 2.579009216830626 (5.55379e-05% change)
large trace change predicted (0.000151487%)
linmin: converged after 5 iterations.
iteration 196: trace = 2.579005312263789 (0.000151398% change)
linmin: converged after 6 iterations.
iteration 197: trace = 2.579001471136257 (0.000148938% change)
linmin: converged after 3 iterations.
iteration 198: trace = 2.579000202095394 (4.92067e-05% change)
large trace change predicted (0.000142495%)
linmin: converged after 4 iterations.
iteration 199: trace = 2.578996529822402 (0.000142391% change)
linmin: converged after 3 iterations.
iteration 200: trace = 2.578995187350642 (5.2054e-05% change)
large trace change predicted (0.000131731%)
linmin: converged after 4 iterations.
iteration 201: trace = 2.578991792415594 (0.000131638% change)
linmin: converged after 3 iterations.
iteration 202: trace = 2.578988993888872 (0.000108512% change)
linmin: converged after 5 iterations.
iteration 203: trace = 2.578987762684613 (4.77398e-05% change)
large trace change predicted (0.000135855%)
linmin: converged after 3 iterations.
iteration 204: trace = 2.578984260530736 (0.000135796% change)
linmin: converged after 3 iterations.
iteration 205: trace = 2.578980856605261 (0.000131987% change)
linmin: converged after 4 iterations.
iteration 206: trace = 2.578978830383538 (7.85668e-05% change)
large trace change predicted (0.000160162%)
linmin: converged after 3 iterations.
iteration 207: trace = 2.578974698738432 (0.000160205% change)
linmin: converged after 3 iterations.
iteration 208: trace = 2.578973015751278 (6.5258e-05% change)
linmin: converged after 3 iterations.
iteration 209: trace = 2.578970593185892 (9.39353e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 2.578968714970213 (7.28281e-05% change)
linmin: converged after 4 iterations.
iteration 211: trace = 2.578967709801617 (3.89756e-05% change)
large trace change predicted (8.45731e-05%)
linmin: converged after 3 iterations.
iteration 212: trace = 2.578965528390797 (8.45847e-05% change)
linmin: converged after 3 iterations.
iteration 213: trace = 2.578964563648843 (3.74081e-05% change)
linmin: converged after 4 iterations.
iteration 214: trace = 2.578962691495152 (7.25933e-05% change)
linmin: converged after 4 iterations.
iteration 215: trace = 2.578960582717608 (8.17685e-05% change)
linmin: converged after 5 iterations.
iteration 216: trace = 2.578959861533169 (2.79642e-05% change)
large trace change predicted (6.89091e-05%)
linmin: converged after 4 iterations.
iteration 217: trace = 2.578958084037421 (6.8923e-05% change)
linmin: converged after 4 iterations.
iteration 218: trace = 2.578955797477816 (8.86622e-05% change)
linmin: converged after 3 iterations.
iteration 219: trace = 2.57895504299751 (2.92553e-05% change)
large trace change predicted (7.33764e-05%)
linmin: converged after 4 iterations.
iteration 220: trace = 2.578953149960638 (7.34033e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.578952452927342 (2.70278e-05% change)
linmin: converged after 3 iterations.
iteration 222: trace = 2.578951239347376 (4.70571e-05% change)
linmin: converged after 3 iterations.
iteration 223: trace = 2.578949560038214 (6.5116e-05% change)
linmin: converged after 3 iterations.
iteration 224: trace = 2.578948829317527 (2.8334e-05% change)
large trace change predicted (6.89296e-05%)
linmin: converged after 3 iterations.
iteration 225: trace = 2.57894705091941 (6.89583e-05% change)
linmin: converged after 4 iterations.
iteration 226: trace = 2.578944887353176 (8.38934e-05% change)
linmin: converged after 4 iterations.
iteration 227: trace = 2.578944180787921 (2.73975e-05% change)
large trace change predicted (0.000106351%)
linmin: converged after 5 iterations.
iteration 228: trace = 2.578941437166416 (0.000106386% change)
linmin: converged after 3 iterations.
iteration 229: trace = 2.578939973196951 (5.67663e-05% change)
linmin: converged after 3 iterations.
iteration 230: trace = 2.578938658299422 (5.0986e-05% change)
linmin: converged after 3 iterations.
iteration 231: trace = 2.578936212270739 (9.48464e-05% change)
linmin: converged after 3 iterations.
iteration 232: trace = 2.578935104609958 (4.29503e-05% change)
linmin: converged after 3 iterations.
iteration 233: trace = 2.57893355483672 (6.00936e-05% change)
linmin: converged after 3 iterations.
iteration 234: trace = 2.578932051113395 (5.8308e-05% change)
linmin: converged after 4 iterations.
iteration 235: trace = 2.578931430256686 (2.40742e-05% change)
large trace change predicted (6.3687e-05%)
linmin: converged after 4 iterations.
iteration 236: trace = 2.578929787965555 (6.36811e-05% change)
linmin: converged after 7 iterations.
iteration 237: trace = 2.578927732842243 (7.9689e-05% change)
linmin: converged after 5 iterations.
iteration 238: trace = 2.578927370696145 (1.40425e-05% change)
large trace change predicted (7.88144e-05%)
linmin: converged after 3 iterations.
iteration 239: trace = 2.578925339249452 (7.8771e-05% change)
linmin: converged after 3 iterations.
iteration 240: trace = 2.578924460385541 (3.40787e-05% change)
linmin: converged after 8 iterations.
iteration 241: trace = 2.578923850546401 (2.3647e-05% change)
large trace change predicted (4.97598e-05%)
linmin: converged after 3 iterations.
iteration 242: trace = 2.578922567884795 (4.97363e-05% change)
linmin: converged after 3 iterations.
iteration 243: trace = 2.578922080751145 (1.8889e-05% change)
linmin: converged after 3 iterations.
iteration 244: trace = 2.578921459580042 (2.40865e-05% change)
linmin: converged after 4 iterations.
iteration 245: trace = 2.578920588759444 (3.37669e-05% change)
linmin: converged after 3 iterations.
iteration 246: trace = 2.578920152669645 (1.69098e-05% change)
linmin: converged after 3 iterations.
iteration 247: trace = 2.578919528317649 (2.42098e-05% change)
linmin: converged after 4 iterations.
iteration 248: trace = 2.57891839601165 (4.39062e-05% change)
linmin: converged after 3 iterations.
iteration 249: trace = 2.578918027857583 (1.42755e-05% change)
large trace change predicted (4.59907e-05%)
linmin: converged after 4 iterations.
iteration 250: trace = 2.578916842021182 (4.59819e-05% change)
linmin: converged after 4 iterations.
iteration 251: trace = 2.578916059169786 (3.03558e-05% change)
linmin: converged after 4 iterations.
iteration 252: trace = 2.578915623446967 (1.68956e-05% change)
linmin: converged after 3 iterations.
iteration 253: trace = 2.578914755413444 (3.36589e-05% change)
linmin: converged after 3 iterations.
iteration 254: trace = 2.578914220269266 (2.07508e-05% change)
linmin: converged after 3 iterations.
iteration 255: trace = 2.578913286361983 (3.62132e-05% change)
linmin: converged after 3 iterations.
iteration 256: trace = 2.578911970243699 (5.10338e-05% change)
linmin: converged after 3 iterations.
iteration 257: trace = 2.578911690891971 (1.08322e-05% change)
large trace change predicted (4.1962e-05%)
linmin: converged after 19 iterations.
iteration 258: trace = 2.57891060870616 (4.19629e-05% change)
linmin: converged after 3 iterations.
iteration 259: trace = 2.578909258395869 (5.23597e-05% change)
linmin: converged after 3 iterations.
iteration 260: trace = 2.578908933608401 (1.2594e-05% change)
large trace change predicted (6.02701e-05%)
linmin: converged after 3 iterations.
iteration 261: trace = 2.578907379207026 (6.02736e-05% change)
linmin: converged after 3 iterations.
iteration 262: trace = 2.578906522316381 (3.32269e-05% change)
linmin: converged after 2 iterations.
iteration 263: trace = 2.578905991059567 (2.06001e-05% change)
linmin: converged after 4 iterations.
iteration 264: trace = 2.578905011242142 (3.79935e-05% change)
linmin: converged after 4 iterations.
iteration 265: trace = 2.57890431127686 (2.7142e-05% change)
linmin: converged after 4 iterations.
iteration 266: trace = 2.578903889516543 (1.63542e-05% change)
large trace change predicted (4.42885e-05%)
linmin: converged after 3 iterations.
iteration 267: trace = 2.578902747575397 (4.42801e-05% change)
linmin: converged after 4 iterations.
iteration 268: trace = 2.578902526433914 (8.57502e-06% change)
large trace change predicted (3.14436e-05%)
linmin: converged after 3 iterations.
iteration 269: trace = 2.578901715648348 (3.14392e-05% change)
linmin: converged after 3 iterations.
iteration 270: trace = 2.578900890314848 (3.20033e-05% change)
linmin: converged after 3 iterations.
iteration 271: trace = 2.578900701551541 (7.31953e-06% change)
large trace change predicted (2.65202e-05%)
linmin: converged after 5 iterations.
iteration 272: trace = 2.578900017648208 (2.65192e-05% change)
linmin: converged after 3 iterations.
iteration 273: trace = 2.578899271387342 (2.89372e-05% change)
linmin: converged after 3 iterations.
iteration 274: trace = 2.578899118432121 (5.93103e-06% change)
large trace change predicted (2.54228e-05%)
linmin: converged after 3 iterations.
iteration 275: trace = 2.578898462777596 (2.54238e-05% change)
linmin: converged after 4 iterations.
iteration 276: trace = 2.578898159127796 (1.17744e-05% change)
linmin: converged after 5 iterations.
iteration 277: trace = 2.578897869249839 (1.12404e-05% change)
large trace change predicted (2.31179e-05%)
linmin: converged after 7 iterations.
iteration 278: trace = 2.578897273050618 (2.31184e-05% change)
linmin: converged after 5 iterations.
iteration 279: trace = 2.578896730929192 (2.10214e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 280: trace = 2.578896287665295 (1.71881e-05% change)
linmin: converged after 3 iterations.
iteration 281: trace = 2.5788958899988 (1.542e-05% change)
linmin: converged after 3 iterations.
iteration 282: trace = 2.578895754454166 (5.25592e-06% change)
linmin: converged after 2 iterations.
iteration 283: trace = 2.578895485195463 (1.04409e-05% change)
linmin: converged after 3 iterations.
iteration 284: trace = 2.578895087730657 (1.54122e-05% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.578894975971315 (4.33361e-06% change)
large trace change predicted (1.81265e-05%)
linmin: converged after 3 iterations.
iteration 286: trace = 2.578894508574154 (1.81239e-05% change)
linmin: converged after 4 iterations.
iteration 287: trace = 2.57889410801878 (1.55321e-05% change)
linmin: converged after 4 iterations.
iteration 288: trace = 2.578893999560019 (4.20563e-06% change)
large trace change predicted (1.59254e-05%)
linmin: converged after 3 iterations.
iteration 289: trace = 2.578893588928751 (1.59228e-05% change)
linmin: converged after 7 iterations.
iteration 290: trace = 2.578893306795367 (1.09401e-05% change)
linmin: converged after 4 iterations.
iteration 291: trace = 2.578893123980304 (7.0889e-06% change)
large trace change predicted (1.69244e-05%)
linmin: converged after 3 iterations.
iteration 292: trace = 2.578892687544148 (1.69234e-05% change)
linmin: converged after 3 iterations.
iteration 293: trace = 2.578892518215895 (6.56593e-06% change)
linmin: converged after 3 iterations.
iteration 294: trace = 2.578892241221396 (1.07408e-05% change)
linmin: converged after 3 iterations.
iteration 295: trace = 2.578891835610835 (1.57281e-05% change)
linmin: converged after 3 iterations.
iteration 296: trace = 2.578891612915137 (8.63533e-06% change)
linmin: converged after 3 iterations.
iteration 297: trace = 2.57889126373564 (1.35399e-05% change)
linmin: converged after 3 iterations.
iteration 298: trace = 2.578890876180742 (1.5028e-05% change)
linmin: converged after 3 iterations.
iteration 299: trace = 2.578890683270827 (7.48034e-06% change)
linmin: converged after 3 iterations.
iteration 300: trace = 2.578890325968974 (1.38549e-05% change)
linmin: converged after 5 iterations.
iteration 301: trace = 2.578890085566034 (9.32195e-06% change)
linmin: converged after 4 iterations.
iteration 302: trace = 2.578889936017831 (5.79894e-06% change)
large trace change predicted (1.31324e-05%)
linmin: converged after 19 iterations.
iteration 303: trace = 2.578889597397355 (1.31305e-05% change)
linmin: converged after 2 iterations.
iteration 304: trace = 2.5788895208872 (2.96679e-06% change)
large trace change predicted (9.17308e-06%)
linmin: converged after 4 iterations.
iteration 305: trace = 2.578889284341206 (9.1724e-06% change)
linmin: converged after 4 iterations.
iteration 306: trace = 2.578889040073928 (9.4718e-06% change)
linmin: converged after 3 iterations.
iteration 307: trace = 2.578888806884359 (9.04225e-06% change)
linmin: converged after 3 iterations.
iteration 308: trace = 2.578888736130238 (2.74359e-06% change)
large trace change predicted (1.0083e-05%)
linmin: converged after 4 iterations.
iteration 309: trace = 2.578888476085962 (1.00836e-05% change)
linmin: converged after 3 iterations.
iteration 310: trace = 2.578888389309429 (3.36488e-06% change)
linmin: converged after 4 iterations.
iteration 311: trace = 2.578888222547906 (6.46641e-06% change)
linmin: converged after 18 iterations.
iteration 312: trace = 2.578888068859919 (5.95947e-06% change)
linmin: converged after 4 iterations.
iteration 313: trace = 2.578888019568005 (1.91136e-06% change)
large trace change predicted (5.76668e-06%)
linmin: converged after 4 iterations.
iteration 314: trace = 2.578887870845399 (5.76693e-06% change)
linmin: converged after 4 iterations.
iteration 315: trace = 2.578887718433325 (5.90999e-06% change)
linmin: converged after 3 iterations.
iteration 316: trace = 2.578887677161438 (1.60038e-06% change)
large trace change predicted (7.15223e-06%)
linmin: converged after 3 iterations.
iteration 317: trace = 2.578887492693028 (7.15302e-06% change)
linmin: converged after 4 iterations.
iteration 318: trace = 2.578887351236361 (5.48518e-06% change)
linmin: converged after 5 iterations.
iteration 319: trace = 2.578887270444731 (3.13281e-06% change)
large trace change predicted (1.02195e-05%)
linmin: converged after 4 iterations.
iteration 320: trace = 2.578887006872511 (1.02204e-05% change)
linmin: converged after 3 iterations.
iteration 321: trace = 2.578886955611378 (1.98772e-06% change)
large trace change predicted (7.85794e-06%)
linmin: converged after 2 iterations.
iteration 322: trace = 2.578886752955543 (7.85827e-06% change)
linmin: converged after 5 iterations.
iteration 323: trace = 2.578886590840106 (6.28626e-06% change)
linmin: converged after 2 iterations.
iteration 324: trace = 2.578886530251842 (2.3494e-06% change)
large trace change predicted (5.63931e-06%)
linmin: converged after 3 iterations.
iteration 325: trace = 2.5788863848269 (5.63906e-06% change)
linmin: converged after 3 iterations.
iteration 326: trace = 2.578886232586593 (5.90334e-06% change)
linmin: converged after 3 iterations.
iteration 327: trace = 2.57888615054765 (3.18118e-06% change)
large trace change predicted (7.48174e-06%)
linmin: converged after 4 iterations.
iteration 328: trace = 2.578885957625688 (7.48083e-06% change)
linmin: converged after 4 iterations.
iteration 329: trace = 2.578885864164633 (3.62409e-06% change)
linmin: converged after 3 iterations.
iteration 330: trace = 2.578885776693701 (3.39181e-06% change)
large trace change predicted (7.33093e-06%)
linmin: converged after 3 iterations.
iteration 331: trace = 2.578885587670807 (7.32963e-06% change)
linmin: converged after 27 iterations.
iteration 332: trace = 2.578885538373884 (1.91156e-06% change)
large trace change predicted (5.04363e-06%)
linmin: converged after 3 iterations.
iteration 333: trace = 2.578885408321698 (5.04296e-06% change)
linmin: converged after 5 iterations.
iteration 334: trace = 2.578885265495369 (5.5383e-06% change)
linmin: converged after 16 iterations.
iteration 335: trace = 2.578885235565986 (1.16056e-06% change)
large trace change predicted (3.35533e-06%)
linmin: converged after 5 iterations.
iteration 336: trace = 2.578885149043622 (3.35503e-06% change)
linmin: converged after 4 iterations.
iteration 337: trace = 2.578885066707878 (3.19269e-06% change)
linmin: converged after 8 iterations.
iteration 338: trace = 2.578885041183195 (9.89757e-07% change)
large trace change predicted (3.32552e-06%)
linmin: converged after 3 iterations.
iteration 339: trace = 2.578884955426909 (3.32532e-06% change)
linmin: converged after 4 iterations.
iteration 340: trace = 2.578884848723537 (4.13758e-06% change)
linmin: converged after 14 iterations.
iteration 341: trace = 2.578884818458568 (1.17357e-06% change)
large trace change predicted (4.0853e-06%)
linmin: converged after 7 iterations.
iteration 342: trace = 2.57888471310624 (4.08519e-06% change)
linmin: converged after 18 iterations.
iteration 343: trace = 2.578884642392182 (2.74204e-06% change)
linmin: converged after 3 iterations.
iteration 344: trace = 2.578884602713305 (1.53861e-06% change)
large trace change predicted (4.4568e-06%)
linmin: converged after 5 iterations.
iteration 345: trace = 2.57888448777896 (4.45675e-06% change)
linmin: converged after 2 iterations.
iteration 346: trace = 2.578884431780175 (2.17143e-06% change)
linmin: converged after 4 iterations.
iteration 347: trace = 2.578884386051757 (1.77319e-06% change)
linmin: converged after 2 iterations.
iteration 348: trace = 2.57888431058125 (2.92648e-06% change)
linmin: converged after 24 iterations.
iteration 349: trace = 2.578884267815745 (1.65829e-06% change)
resetting CG direction...
linmin: converged after 9 iterations.
iteration 350: trace = 2.57888422833012 (1.53111e-06% change)
linmin: converged after 6 iterations.
iteration 351: trace = 2.578884167212491 (2.36993e-06% change)
linmin: converged after 3 iterations.
iteration 352: trace = 2.578884135134724 (1.24386e-06% change)
linmin: converged after 2 iterations.
iteration 353: trace = 2.578884090075526 (1.74724e-06% change)
linmin: converged after 3 iterations.
iteration 354: trace = 2.578884011742868 (3.03746e-06% change)
linmin: converged after 3 iterations.
iteration 355: trace = 2.578883994515857 (6.68003e-07% change)
large trace change predicted (2.17546e-06%)
linmin: converged after 5 iterations.
iteration 356: trace = 2.578883938409311 (2.17561e-06% change)
linmin: converged after 3 iterations.
iteration 357: trace = 2.578883881997645 (2.18744e-06% change)
linmin: converged after 3 iterations.
iteration 358: trace = 2.578883862483115 (7.56704e-07% change)
large trace change predicted (2.56736e-06%)
linmin: converged after 4 iterations.
iteration 359: trace = 2.578883796268618 (2.56756e-06% change)
linmin: converged after 4 iterations.
iteration 360: trace = 2.578883777226458 (7.38388e-07% change)
linmin: converged after 2 iterations.
iteration 361: trace = 2.578883743261209 (1.31705e-06% change)
linmin: converged after 3 iterations.
iteration 362: trace = 2.578883702488097 (1.58104e-06% change)
linmin: converged after 4 iterations.
iteration 363: trace = 2.57888368633559 (6.26337e-07% change)
large trace change predicted (1.65619e-06%)
linmin: converged after 2 iterations.
iteration 364: trace = 2.578883643621738 (1.65629e-06% change)
linmin: converged after 4 iterations.
iteration 365: trace = 2.578883577061982 (2.58095e-06% change)
linmin: converged after 8 iterations.
iteration 366: trace = 2.578883554707284 (8.66836e-07% change)
large trace change predicted (2.20978e-06%)
linmin: converged after 2 iterations.
iteration 367: trace = 2.57888349771743 (2.20987e-06% change)
linmin: converged after 4 iterations.
iteration 368: trace = 2.578883427926582 (2.70624e-06% change)
linmin: converged after 5 iterations.
iteration 369: trace = 2.578883406635272 (8.25602e-07% change)
large trace change predicted (1.99771e-06%)
linmin: converged after 2 iterations.
iteration 370: trace = 2.578883355116631 (1.99771e-06% change)
linmin: converged after 6 iterations.
iteration 371: trace = 2.578883286972285 (2.6424e-06% change)
linmin: converged after 16 iterations.
iteration 372: trace = 2.578883267400527 (7.58924e-07% change)
large trace change predicted (2.58803e-06%)
linmin: converged after 2 iterations.
iteration 373: trace = 2.57888320065819 (2.58803e-06% change)
linmin: converged after 10 iterations.
iteration 374: trace = 2.578883160950679 (1.53972e-06% change)
linmin: converged after 13 iterations.
iteration 375: trace = 2.578883142543416 (7.13769e-07% change)
large trace change predicted (2.24375e-06%)
linmin: converged after 3 iterations.
iteration 376: trace = 2.57888308468267 (2.24364e-06% change)
linmin: converged after 10 iterations.
iteration 377: trace = 2.578883025109856 (2.31002e-06% change)
linmin: converged after 12 iterations.
iteration 378: trace = 2.578883013424509 (4.53117e-07% change)
large trace change predicted (2.17064e-06%)
linmin: converged after 4 iterations.
iteration 379: trace = 2.578882957449465 (2.17052e-06% change)
linmin: converged after 4 iterations.
iteration 380: trace = 2.578882925837505 (1.2258e-06% change)
linmin: converged after 9 iterations.
iteration 381: trace = 2.578882910105894 (6.10016e-07% change)
large trace change predicted (1.62587e-06%)
linmin: converged after 22 iterations.
iteration 382: trace = 2.57888286817952 (1.62576e-06% change)
linmin: converged after 18 iterations.
iteration 383: trace = 2.578882858838719 (3.62203e-07% change)
large trace change predicted (1.10116e-06%)
linmin: converged after 14 iterations.
iteration 384: trace = 2.578882830442491 (1.10111e-06% change)
linmin: converged after 35 iterations.
iteration 385: trace = 2.578882802410506 (1.08698e-06% change)
linmin: converged after 4 iterations.
iteration 386: trace = 2.578882784966687 (6.7641e-07% change)
linmin: converged after 5 iterations.
iteration 387: trace = 2.578882767429097 (6.80046e-07% change)
linmin: converged after 14 iterations.
iteration 388: trace = 2.578882733287546 (1.32389e-06% change)
linmin: converged after 4 iterations.
iteration 389: trace = 2.57888272132615 (4.63821e-07% change)
large trace change predicted (1.42871e-06%)
linmin: converged after 3 iterations.
iteration 390: trace = 2.578882684481917 (1.42869e-06% change)
linmin: converged after 3 iterations.
iteration 391: trace = 2.578882658808092 (9.95541e-07% change)
linmin: converged after 3 iterations.
iteration 392: trace = 2.578882642954935 (6.1473e-07% change)
linmin: converged after 3 iterations.
iteration 393: trace = 2.578882616553765 (1.02374e-06% change)
linmin: converged after 8 iterations.
iteration 394: trace = 2.578882587926257 (1.11007e-06% change)
linmin: converged after 5 iterations.
iteration 395: trace = 2.578882573063998 (5.76306e-07% change)
large trace change predicted (1.47032e-06%)
linmin: converged after 2 iterations.
iteration 396: trace = 2.578882535145632 (1.47034e-06% change)
linmin: converged after 5 iterations.
iteration 397: trace = 2.578882526245823 (3.45103e-07% change)
large trace change predicted (1.08143e-06%)
linmin: converged after 3 iterations.
iteration 398: trace = 2.57888249835706 (1.08143e-06% change)
linmin: converged after 2 iterations.
iteration 399: trace = 2.578882465578491 (1.27104e-06% change)
linmin: converged after 19 iterations.
iteration 400: trace = 2.578882448731245 (6.53277e-07% change)
linmin: converged after 2 iterations.
iteration 401: trace = 2.578882415744254 (1.27912e-06% change)
linmin: converged after 4 iterations.
iteration 402: trace = 2.578882383822383 (1.23782e-06% change)
linmin: converged after 13 iterations.
iteration 403: trace = 2.57888237186781 (4.63556e-07% change)
large trace change predicted (1.08975e-06%)
linmin: converged after 11 iterations.
iteration 404: trace = 2.578882343763326 (1.08979e-06% change)
linmin: converged after 5 iterations.
iteration 405: trace = 2.578882322723003 (8.1587e-07% change)
linmin: converged after 22 iterations.
iteration 406: trace = 2.578882314178037 (3.31344e-07% change)
large trace change predicted (9.95795e-07%)
linmin: converged after 8 iterations.
iteration 407: trace = 2.578882288497162 (9.95814e-07% change)
linmin: converged after 4 iterations.
iteration 408: trace = 2.578882274931218 (5.2604e-07% change)
linmin: converged after 7 iterations.
iteration 409: trace = 2.578882262988782 (4.63086e-07% change)
linmin: converged after 3 iterations.
iteration 410: trace = 2.578882241085648 (8.49327e-07% change)
linmin: converged after 5 iterations.
iteration 411: trace = 2.578882235455017 (2.18336e-07% change)
large trace change predicted (7.39992e-07%)
linmin: converged after 3 iterations.
iteration 412: trace = 2.578882216371586 (7.39988e-07% change)
linmin: converged after 3 iterations.
iteration 413: trace = 2.578882192306764 (9.33149e-07% change)
linmin: converged after 5 iterations.
iteration 414: trace = 2.578882185166103 (2.7689e-07% change)
large trace change predicted (6.0813e-07%)
linmin: converged after 20 iterations.
iteration 415: trace = 2.578882169483405 (6.0812e-07% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.578882156093668 (5.19207e-07% change)
linmin: converged after 4 iterations.
iteration 417: trace = 2.578882148049813 (3.11912e-07% change)
linmin: converged after 4 iterations.
iteration 418: trace = 2.578882138332705 (3.76795e-07% change)
large trace change predicted (4.10231e-06%)
linmin: converged after 3 iterations.
iteration 419: trace = 2.57888203255024 (4.10187e-06% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 420: trace = 2.578882001414857 (1.20732e-06% change)
linmin: converged after 3 iterations.
iteration 421: trace = 2.57888198168971 (7.64872e-07% change)
linmin: converged after 3 iterations.
iteration 422: trace = 2.578881974277851 (2.87406e-07% change)
linmin: converged after 2 iterations.
iteration 423: trace = 2.578881962864237 (4.4258e-07% change)
linmin: converged after 3 iterations.
iteration 424: trace = 2.578881955412863 (2.88938e-07% change)
linmin: converged after 11 iterations.
iteration 425: trace = 2.578881952599149 (1.09106e-07% change)
large trace change predicted (4.08628e-07%)
linmin: converged after 4 iterations.
iteration 426: trace = 2.578881942061155 (4.08626e-07% change)
linmin: converged after 7 iterations.
iteration 427: trace = 2.578881935946643 (2.37099e-07% change)
linmin: converged after 3 iterations.
iteration 428: trace = 2.578881933220652 (1.05704e-07% change)
large trace change predicted (2.853e-07%)
linmin: converged after 4 iterations.
iteration 429: trace = 2.578881925863133 (2.85299e-07% change)
linmin: converged after 5 iterations.
iteration 430: trace = 2.578881918861035 (2.71517e-07% change)
linmin: converged after 4 iterations.
iteration 431: trace = 2.578881915686762 (1.23087e-07% change)
large trace change predicted (4.42272e-07%)
linmin: converged after 4 iterations.
iteration 432: trace = 2.578881904281187 (4.42268e-07% change)
linmin: converged after 11 iterations.
iteration 433: trace = 2.57888189922615 (1.96017e-07% change)
linmin: converged after 6 iterations.
iteration 434: trace = 2.578881893089352 (2.37963e-07% change)
linmin: converged after 5 iterations.
iteration 435: trace = 2.578881886221618 (2.66307e-07% change)
linmin: converged after 6 iterations.
iteration 436: trace = 2.578881882795108 (1.32868e-07% change)
large trace change predicted (2.82053e-07%)
linmin: converged after 12 iterations.
iteration 437: trace = 2.578881875521383 (2.8205e-07% change)
linmin: converged after 3 iterations.
iteration 438: trace = 2.578881866718654 (3.41339e-07% change)
linmin: converged after 3 iterations.
iteration 439: trace = 2.578881863079233 (1.41124e-07% change)
large trace change predicted (3.17561e-07%)
linmin: converged after 3 iterations.
iteration 440: trace = 2.578881854889808 (3.17557e-07% change)
linmin: converged after 3 iterations.
iteration 441: trace = 2.578881849411369 (2.12435e-07% change)
linmin: converged after 3 iterations.
iteration 442: trace = 2.578881843615585 (2.2474e-07% change)
linmin: converged after 8 iterations.
iteration 443: trace = 2.578881834950654 (3.35996e-07% change)
linmin: converged after 3 iterations.
iteration 444: trace = 2.578881830311306 (1.79898e-07% change)
linmin: converged after 3 iterations.
iteration 445: trace = 2.578881828375051 (7.50812e-08% change)
large trace change predicted (1.93627e-07%)
linmin: converged after 3 iterations.
iteration 446: trace = 2.578881823381663 (1.93626e-07% change)
linmin: converged after 7 iterations.
iteration 447: trace = 2.578881818911962 (1.73319e-07% change)
linmin: converged after 16 iterations.
iteration 448: trace = 2.578881816939237 (7.64954e-08% change)
large trace change predicted (1.68541e-07%)
linmin: converged after 2 iterations.
iteration 449: trace = 2.578881812592749 (1.68542e-07% change)
linmin: converged after 13 iterations.
iteration 450: trace = 2.57888180998494 (1.01122e-07% change)
linmin: converged after 2 iterations.
iteration 451: trace = 2.578881806387408 (1.395e-07% change)
linmin: converged after 2 iterations.
iteration 452: trace = 2.578881801702745 (1.81655e-07% change)
linmin: converged after 4 iterations.
iteration 453: trace = 2.578881800532051 (4.53954e-08% change)
large trace change predicted (1.45438e-07%)
linmin: converged after 7 iterations.
iteration 454: trace = 2.578881796781342 (1.45439e-07% change)
linmin: converged after 2 iterations.
iteration 455: trace = 2.57888179405486 (1.05723e-07% change)
linmin: converged after 18 iterations.
iteration 456: trace = 2.578881790709824 (1.29709e-07% change)
linmin: converged after 6 iterations.
iteration 457: trace = 2.578881786616718 (1.58716e-07% change)
linmin: converged after 25 iterations.
iteration 458: trace = 2.578881784182502 (9.43903e-08% change)
linmin: converged after 13 iterations.
iteration 459: trace = 2.578881782697347 (5.75891e-08% change)
large trace change predicted (1.85288e-07%)
linmin: converged after 20 iterations.
iteration 460: trace = 2.578881777918918 (1.85291e-07% change)
linmin: converged after 2 iterations.
iteration 461: trace = 2.578881776055878 (7.22422e-08% change)
linmin: converged after 3 iterations.
iteration 462: trace = 2.578881772340515 (1.44069e-07% change)
linmin: converged after 10 iterations.
iteration 463: trace = 2.578881768909506 (1.33042e-07% change)
linmin: converged after 3 iterations.
iteration 464: trace = 2.578881766121611 (1.08105e-07% change)
linmin: converged after 17 iterations.
iteration 465: trace = 2.578881764451818 (6.47487e-08% change)
large trace change predicted (1.6705e-07%)
linmin: converged after 4 iterations.
iteration 466: trace = 2.578881760143803 (1.6705e-07% change)
linmin: converged after 7 iterations.
iteration 467: trace = 2.578881759396851 (2.89642e-08% change)
large trace change predicted (1.39554e-07%)
linmin: converged after 7 iterations.
iteration 468: trace = 2.57888175579796 (1.39552e-07% change)
linmin: converged after 3 iterations.
iteration 469: trace = 2.578881753502724 (8.90012e-08% change)
linmin: converged after 6 iterations.
iteration 470: trace = 2.578881751530404 (7.64797e-08% change)
large trace change predicted (1.64211e-07%)
linmin: converged after 12 iterations.
iteration 471: trace = 2.578881747295646 (1.64209e-07% change)
linmin: converged after 3 iterations.
iteration 472: trace = 2.578881744437918 (1.10813e-07% change)
linmin: converged after 14 iterations.
iteration 473: trace = 2.578881743681069 (2.93479e-08% change)
large trace change predicted (9.12322e-08%)
linmin: converged after 4 iterations.
iteration 474: trace = 2.578881741328326 (9.12311e-08% change)
linmin: converged after 7 iterations.
iteration 475: trace = 2.578881738765879 (9.93627e-08% change)
linmin: converged after 4 iterations.
iteration 476: trace = 2.578881737927481 (3.25101e-08% change)
large trace change predicted (1.02946e-07%)
linmin: converged after 4 iterations.
iteration 477: trace = 2.578881735272673 (1.02944e-07% change)
linmin: converged after 7 iterations.
iteration 478: trace = 2.578881733494461 (6.89528e-08% change)
linmin: converged after 4 iterations.
iteration 479: trace = 2.578881732930764 (2.18582e-08% change)
large trace change predicted (8.73871e-08%)
linmin: converged after 7 iterations.
iteration 480: trace = 2.578881730677189 (8.73858e-08% change)
linmin: converged after 10 iterations.
iteration 481: trace = 2.578881729820675 (3.32126e-08% change)
linmin: converged after 9 iterations.
iteration 482: trace = 2.578881728681377 (4.4178e-08% change)
large trace change predicted (9.04282e-08%)
linmin: converged after 3 iterations.
iteration 483: trace = 2.578881726349349 (9.04279e-08% change)
linmin: converged after 4 iterations.
iteration 484: trace = 2.578881725726397 (2.41559e-08% change)
large trace change predicted (7.02151e-08%)
linmin: converged after 4 iterations.
iteration 485: trace = 2.578881723915634 (7.02151e-08% change)
linmin: converged after 4 iterations.
iteration 486: trace = 2.578881722615295 (5.04226e-08% change)
linmin: converged after 4 iterations.
iteration 487: trace = 2.578881722206721 (1.58431e-08% change)
large trace change predicted (3.6933e-08%)
linmin: converged after 2 iterations.
iteration 488: trace = 2.57888172125426 (3.69331e-08% change)
linmin: converged after 13 iterations.
iteration 489: trace = 2.578881719585277 (6.47173e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 490: trace = 2.57888171888873 (2.70097e-08% change)
linmin: converged after 2 iterations.
iteration 491: trace = 2.578881718084623 (3.11805e-08% change)
linmin: converged after 4 iterations.
iteration 492: trace = 2.578881717604491 (1.86178e-08% change)
linmin: converged after 5 iterations.
iteration 493: trace = 2.578881717004805 (2.32537e-08% change)
linmin: converged after 3 iterations.
iteration 494: trace = 2.578881715921646 (4.20011e-08% change)
linmin: converged after 4 iterations.
iteration 495: trace = 2.57888171558842 (1.29214e-08% change)
large trace change predicted (5.08189e-08%)
linmin: converged after 4 iterations.
iteration 496: trace = 2.578881714277853 (5.08192e-08% change)
linmin: converged after 23 iterations.
iteration 497: trace = 2.578881713204562 (4.16185e-08% change)
linmin: converged after 5 iterations.
iteration 498: trace = 2.578881712762302 (1.71493e-08% change)
large trace change predicted (4.78776e-08%)
linmin: converged after 8 iterations.
iteration 499: trace = 2.578881711527581 (4.78782e-08% change)
linmin: converged after 2 iterations.
iteration 500: trace = 2.578881710974068 (2.14633e-08% change)
linmin: converged after 4 iterations.
iteration 501: trace = 2.578881710025923 (3.67657e-08% change)
linmin: converged after 24 iterations.
iteration 502: trace = 2.57888170888197 (4.43585e-08% change)
linmin: converged after 3 iterations.
iteration 503: trace = 2.578881708510016 (1.44231e-08% change)
large trace change predicted (5.61478e-08%)
linmin: converged after 13 iterations.
iteration 504: trace = 2.578881707062016 (5.61483e-08% change)
linmin: converged after 4 iterations.
iteration 505: trace = 2.578881706093314 (3.75629e-08% change)
linmin: converged after 4 iterations.
iteration 506: trace = 2.578881705717529 (1.45717e-08% change)
large trace change predicted (5.93041e-08%)
linmin: converged after 7 iterations.
iteration 507: trace = 2.578881704188132 (5.93047e-08% change)
linmin: converged after 4 iterations.
iteration 508: trace = 2.578881702874284 (5.09464e-08% change)
linmin: converged after 9 iterations.
iteration 509: trace = 2.578881702043305 (3.22224e-08% change)
linmin: converged after 33 iterations.
iteration 510: trace = 2.578881700506313 (5.95992e-08% change)
linmin: converged after 8 iterations.
iteration 511: trace = 2.578881698856581 (6.39708e-08% change)
linmin: converged after 25 iterations.
iteration 512: trace = 2.578881698305443 (2.13712e-08% change)
linmin: converged after 4 iterations.
iteration 513: trace = 2.578881697318028 (3.82885e-08% change)
linmin: converged after 6 iterations.
iteration 514: trace = 2.578881696453907 (3.35076e-08% change)
linmin: converged after 24 iterations.
iteration 515: trace = 2.578881696040486 (1.6031e-08% change)
large trace change predicted (3.3052e-08%)
linmin: converged after 19 iterations.
iteration 516: trace = 2.578881695188117 (3.30519e-08% change)
linmin: converged after 4 iterations.
iteration 517: trace = 2.578881694077508 (4.30655e-08% change)
linmin: converged after 6 iterations.
iteration 518: trace = 2.578881693851104 (8.77916e-09% change)
large trace change predicted (3.4599e-08%)
linmin: converged after 5 iterations.
iteration 519: trace = 2.578881692958843 (3.45988e-08% change)
linmin: converged after 4 iterations.
iteration 520: trace = 2.578881691965827 (3.85057e-08% change)
linmin: converged after 18 iterations.
iteration 521: trace = 2.578881691714425 (9.74847e-09% change)
large trace change predicted (2.56216e-08%)
linmin: converged after 6 iterations.
iteration 522: trace = 2.578881691053676 (2.56216e-08% change)
linmin: converged after 8 iterations.
iteration 523: trace = 2.57888169029596 (2.93816e-08% change)
linmin: converged after 3 iterations.
iteration 524: trace = 2.578881690098096 (7.67245e-09% change)
large trace change predicted (3.62996e-08%)
linmin: converged after 4 iterations.
iteration 525: trace = 2.578881689161979 (3.62994e-08% change)
linmin: converged after 3 iterations.
iteration 526: trace = 2.578881688581245 (2.25188e-08% change)
linmin: converged after 30 iterations.
iteration 527: trace = 2.578881688348686 (9.0178e-09% change)
large trace change predicted (2.9535e-08%)
linmin: converged after 3 iterations.
iteration 528: trace = 2.578881687587014 (2.9535e-08% change)
linmin: converged after 5 iterations.
iteration 529: trace = 2.578881686716563 (3.37531e-08% change)
linmin: converged after 2 iterations.
iteration 530: trace = 2.578881686421467 (1.14428e-08% change)
large trace change predicted (3.29164e-08%)
linmin: converged after 2 iterations.
iteration 531: trace = 2.578881685572594 (3.29163e-08% change)
linmin: converged after 4 iterations.
iteration 532: trace = 2.578881685309287 (1.02101e-08% change)
linmin: converged after 3 iterations.
iteration 533: trace = 2.578881684861761 (1.73535e-08% change)
linmin: converged after 4 iterations.
iteration 534: trace = 2.578881683985564 (3.39758e-08% change)
linmin: converged after 4 iterations.
iteration 535: trace = 2.578881683754606 (8.95576e-09% change)
large trace change predicted (2.36327e-08%)
linmin: converged after 4 iterations.
iteration 536: trace = 2.57888168314514 (2.36329e-08% change)
linmin: converged after 10 iterations.
iteration 537: trace = 2.578881682571086 (2.22598e-08% change)
linmin: converged after 13 iterations.
iteration 538: trace = 2.578881682368509 (7.85523e-09% change)
large trace change predicted (2.28578e-08%)
linmin: converged after 27 iterations.
iteration 539: trace = 2.578881681779028 (2.2858e-08% change)
linmin: converged after 4 iterations.
iteration 540: trace = 2.578881680797204 (3.80717e-08% change)
linmin: converged after 4 iterations.
iteration 541: trace = 2.578881680612665 (7.15578e-09% change)
large trace change predicted (2.58063e-08%)
linmin: converged after 4 iterations.
iteration 542: trace = 2.578881679947155 (2.58062e-08% change)
linmin: converged after 4 iterations.
iteration 543: trace = 2.578881679399616 (2.12316e-08% change)
linmin: converged after 16 iterations.
iteration 544: trace = 2.578881679234923 (6.38621e-09% change)
large trace change predicted (1.8202e-08%)
linmin: converged after 4 iterations.
iteration 545: trace = 2.578881678765514 (1.8202e-08% change)
linmin: converged after 8 iterations.
iteration 546: trace = 2.578881678225997 (2.09206e-08% change)
linmin: converged after 4 iterations.
iteration 547: trace = 2.578881677957258 (1.04207e-08% change)
linmin: converged after 3 iterations.
iteration 548: trace = 2.578881677551496 (1.57341e-08% change)
linmin: converged after 8 iterations.
iteration 549: trace = 2.578881677156865 (1.53024e-08% change)
linmin: converged after 9 iterations.
iteration 550: trace = 2.578881677012285 (5.6063e-09% change)
large trace change predicted (1.24192e-08%)
linmin: converged after 25 iterations.
iteration 551: trace = 2.578881676692006 (1.24193e-08% change)
linmin: converged after 25 iterations.
iteration 552: trace = 2.578881676201708 (1.9012e-08% change)
linmin: converged after 5 iterations.
iteration 553: trace = 2.578881676070328 (5.09447e-09% change)
large trace change predicted (2.11621e-08%)
linmin: converged after 7 iterations.
iteration 554: trace = 2.578881675524583 (2.11621e-08% change)
linmin: converged after 8 iterations.
iteration 555: trace = 2.578881675290996 (9.05768e-09% change)
linmin: converged after 22 iterations.
iteration 556: trace = 2.578881675180982 (4.26597e-09% change)
large trace change predicted (1.61602e-08%)
linmin: converged after 4 iterations.
iteration 557: trace = 2.578881674764232 (1.61601e-08% change)
linmin: converged after 4 iterations.
iteration 558: trace = 2.578881674334009 (1.66825e-08% change)
large trace change predicted (3.52697e-08%)
linmin: converged after 4 iterations.
iteration 559: trace = 2.578881673424452 (3.52694e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 560: trace = 2.578881672880023 (2.1111e-08% change)
linmin: converged after 5 iterations.
iteration 561: trace = 2.578881672680256 (7.74626e-09% change)
linmin: converged after 25 iterations.
iteration 562: trace = 2.578881672362635 (1.23162e-08% change)
linmin: converged after 19 iterations.
iteration 563: trace = 2.578881672284253 (3.03939e-09% change)
linmin: converged after 2 iterations.
iteration 564: trace = 2.578881672129735 (5.99167e-09% change)
linmin: converged after 17 iterations.
iteration 565: trace = 2.578881671925359 (7.92497e-09% change)
linmin: converged after 4 iterations.
iteration 566: trace = 2.57888167184932 (2.94855e-09% change)
large trace change predicted (8.93328e-09%)
linmin: converged after 24 iterations.
iteration 567: trace = 2.578881671618939 (8.93335e-09% change)
linmin: converged after 22 iterations.
iteration 568: trace = 2.578881671439694 (6.9505e-09% change)
linmin: converged after 5 iterations.
iteration 569: trace = 2.578881671390202 (1.91914e-09% change)
large trace change predicted (8.98693e-09%)
linmin: converged after 5 iterations.
iteration 570: trace = 2.578881671158436 (8.98706e-09% change)
linmin: converged after 16 iterations.
iteration 571: trace = 2.578881671023423 (5.23534e-09% change)
linmin: converged after 23 iterations.
iteration 572: trace = 2.578881670886128 (5.3238e-09% change)
linmin: converged after 10 iterations.
iteration 573: trace = 2.57888167061433 (1.05394e-08% change)
linmin: converged after 4 iterations.
iteration 574: trace = 2.57888167047332 (5.4679e-09% change)
linmin: converged after 2 iterations.
iteration 575: trace = 2.578881670382614 (3.51723e-09% change)
large trace change predicted (9.72658e-09%)
linmin: converged after 4 iterations.
iteration 576: trace = 2.578881670131778 (9.72653e-09% change)
linmin: converged after 2 iterations.
iteration 577: trace = 2.57888167005623 (2.92949e-09% change)
large trace change predicted (8.33047e-09%)
linmin: converged after 4 iterations.
iteration 578: trace = 2.578881669841399 (8.3304e-09% change)
linmin: converged after 16 iterations.
iteration 579: trace = 2.578881669671451 (6.58999e-09% change)
linmin: converged after 4 iterations.
iteration 580: trace = 2.578881669616973 (2.11247e-09% change)
large trace change predicted (7.63815e-09%)
linmin: converged after 5 iterations.
iteration 581: trace = 2.578881669419995 (7.63812e-09% change)
linmin: converged after 3 iterations.
iteration 582: trace = 2.578881669253416 (6.45934e-09% change)
linmin: converged after 6 iterations.
iteration 583: trace = 2.578881669214003 (1.52829e-09% change)
large trace change predicted (3.75678e-09%)
linmin: converged after 19 iterations.
iteration 584: trace = 2.578881669117119 (3.75683e-09% change)
linmin: converged after 21 iterations.
iteration 585: trace = 2.578881668988493 (4.98767e-09% change)
linmin: converged after 4 iterations.
iteration 586: trace = 2.578881668925138 (2.45667e-09% change)
linmin: converged after 13 iterations.
iteration 587: trace = 2.578881668828271 (3.75618e-09% change)
linmin: converged after 17 iterations.
iteration 588: trace = 2.578881668704732 (4.79039e-09% change)
linmin: converged after 14 iterations.
iteration 589: trace = 2.578881668664982 (1.54138e-09% change)
large trace change predicted (5.54873e-09%)
linmin: converged after 5 iterations.
iteration 590: trace = 2.578881668521888 (5.54868e-09% change)
linmin: converged after 15 iterations.
iteration 591: trace = 2.578881668383914 (5.35017e-09% change)
linmin: converged after 7 iterations.
iteration 592: trace = 2.578881668294432 (3.46977e-09% change)
linmin: converged after 19 iterations.
iteration 593: trace = 2.578881668237628 (2.20267e-09% change)
large trace change predicted (5.03978e-09%)
linmin: converged after 6 iterations.
iteration 594: trace = 2.578881668107656 (5.03986e-09% change)
linmin: converged after 6 iterations.
iteration 595: trace = 2.578881668073455 (1.32618e-09% change)
large trace change predicted (3.65727e-09%)
linmin: converged after 6 iterations.
iteration 596: trace = 2.578881667979138 (3.6573e-09% change)
linmin: converged after 4 iterations.
iteration 597: trace = 2.578881667875772 (4.00818e-09% change)
linmin: converged after 18 iterations.
iteration 598: trace = 2.578881667853007 (8.82743e-10% change)
large trace change predicted (4.69625e-09%)
linmin: converged after 4 iterations.
iteration 599: trace = 2.578881667731894 (4.69632e-09% change)
linmin: converged after 12 iterations.
iteration 600: trace = 2.578881667641204 (3.51666e-09% change)
linmin: converged after 4 iterations.
iteration 601: trace = 2.578881667613043 (1.09197e-09% change)
large trace change predicted (2.753e-09%)
linmin: converged after 4 iterations.
iteration 602: trace = 2.578881667542047 (2.75296e-09% change)
linmin: converged after 12 iterations.
iteration 603: trace = 2.578881667459425 (3.20381e-09% change)
linmin: converged after 14 iterations.
iteration 604: trace = 2.578881667444047 (5.96319e-10% change)
large trace change predicted (3.19409e-09%)
linmin: converged after 17 iterations.
iteration 605: trace = 2.578881667361677 (3.19401e-09% change)
linmin: converged after 17 iterations.
iteration 606: trace = 2.578881667305295 (2.18628e-09% change)
linmin: converged after 15 iterations.
iteration 607: trace = 2.578881667282311 (8.91267e-10% change)
large trace change predicted (2.90575e-09%)
linmin: converged after 4 iterations.
iteration 608: trace = 2.578881667207375 (2.90576e-09% change)
linmin: converged after 3 iterations.
iteration 609: trace = 2.578881667147459 (2.32332e-09% change)
linmin: converged after 9 iterations.
iteration 610: trace = 2.578881667088488 (2.28669e-09% change)
linmin: converged after 4 iterations.
iteration 611: trace = 2.578881666998828 (3.47671e-09% change)
linmin: converged after 5 iterations.
iteration 612: trace = 2.578881666926084 (2.82076e-09% change)
linmin: converged after 6 iterations.
iteration 613: trace = 2.57888166690396 (8.5786e-10% change)
large trace change predicted (2.43285e-09%)
linmin: converged after 2 iterations.
iteration 614: trace = 2.57888166684122 (2.43287e-09% change)
linmin: converged after 4 iterations.
iteration 615: trace = 2.57888166677574 (2.53905e-09% change)
linmin: converged after 4 iterations.
iteration 616: trace = 2.578881666757212 (7.18462e-10% change)
large trace change predicted (2.50814e-09%)
linmin: converged after 10 iterations.
iteration 617: trace = 2.57888166669253 (2.50813e-09% change)
linmin: converged after 6 iterations.
iteration 618: trace = 2.578881666651681 (1.584e-09% change)
linmin: converged after 15 iterations.
iteration 619: trace = 2.578881666633528 (7.03911e-10% change)
large trace change predicted (1.83281e-09%)
linmin: converged after 18 iterations.
iteration 620: trace = 2.578881666586263 (1.83275e-09% change)
linmin: converged after 3 iterations.
iteration 621: trace = 2.57888166653182 (2.11111e-09% change)
linmin: converged after 12 iterations.
iteration 622: trace = 2.578881666519719 (4.69251e-10% change)
large trace change predicted (1.63917e-09%)
linmin: converged after 13 iterations.
iteration 623: trace = 2.57888166647745 (1.63906e-09% change)
linmin: converged after 18 iterations.
iteration 624: trace = 2.578881666465879 (4.48673e-10% change)
linmin: converged after 15 iterations.
iteration 625: trace = 2.578881666443046 (8.85395e-10% change)
linmin: converged after 15 iterations.
iteration 626: trace = 2.578881666412798 (1.17289e-09% change)
linmin: converged after 4 iterations.
iteration 627: trace = 2.578881666407355 (2.11086e-10% change)
large trace change predicted (7.81056e-10%)
linmin: converged after 3 iterations.
iteration 628: trace = 2.578881666387216 (7.8092e-10% change)
linmin: converged after 5 iterations.
iteration 629: trace = 2.578881666359142 (1.08859e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 630: trace = 2.578881666343821 (5.94098e-10% change)
linmin: converged after 10 iterations.
iteration 631: trace = 2.57888166633352 (3.9944e-10% change)
linmin: converged after 14 iterations.
iteration 632: trace = 2.578881666315105 (7.14071e-10% change)
linmin: converged after 15 iterations.
iteration 633: trace = 2.578881666302706 (4.80789e-10% change)
linmin: converged after 4 iterations.
iteration 634: trace = 2.578881666287663 (5.83318e-10% change)
linmin: converged after 7 iterations.
iteration 635: trace = 2.578881666262296 (9.83636e-10% change)
linmin: converged after 9 iterations.
iteration 636: trace = 2.578881666237984 (9.42738e-10% change)
linmin: converged after 6 iterations.
iteration 637: trace = 2.578881666228343 (3.73851e-10% change)
large trace change predicted (1.48265e-09%)
linmin: converged after 11 iterations.
iteration 638: trace = 2.578881666190106 (1.48268e-09% change)
linmin: converged after 7 iterations.
iteration 639: trace = 2.578881666181165 (3.46695e-10% change)
large trace change predicted (1.36478e-09%)
linmin: converged after 5 iterations.
iteration 640: trace = 2.578881666145971 (1.3647e-09% change)
linmin: converged after 3 iterations.
iteration 641: trace = 2.578881666122883 (8.95279e-10% change)
linmin: converged after 15 iterations.
iteration 642: trace = 2.578881666109266 (5.28024e-10% change)
large trace change predicted (1.20858e-09%)
linmin: converged after 4 iterations.
iteration 643: trace = 2.578881666078096 (1.20865e-09% change)
linmin: converged after 16 iterations.
iteration 644: trace = 2.578881666054388 (9.19319e-10% change)
linmin: converged after 10 iterations.
iteration 645: trace = 2.578881666031477 (8.88409e-10% change)
linmin: converged after 4 iterations.
iteration 646: trace = 2.578881665998045 (1.29639e-09% change)
linmin: converged after 3 iterations.
iteration 647: trace = 2.578881665981172 (6.54282e-10% change)
linmin: converged after 9 iterations.
iteration 648: trace = 2.578881665954198 (1.04592e-09% change)
linmin: converged after 4 iterations.
iteration 649: trace = 2.578881665913589 (1.57469e-09% change)
linmin: converged after 7 iterations.
iteration 650: trace = 2.578881665902702 (4.22154e-10% change)
large trace change predicted (1.1464e-09%)
linmin: converged after 6 iterations.
iteration 651: trace = 2.578881665873137 (1.14642e-09% change)
linmin: converged after 18 iterations.
iteration 652: trace = 2.578881665839885 (1.28942e-09% change)
linmin: converged after 15 iterations.
iteration 653: trace = 2.578881665830862 (3.49881e-10% change)
linmin: converged after 2 iterations.
iteration 654: trace = 2.578881665817207 (5.29487e-10% change)
linmin: converged after 5 iterations.
iteration 655: trace = 2.578881665794501 (8.8047e-10% change)
linmin: converged after 4 iterations.
iteration 656: trace = 2.578881665787002 (2.90781e-10% change)
large trace change predicted (7.61912e-10%)
linmin: converged after 9 iterations.
iteration 657: trace = 2.578881665767358 (7.61737e-10% change)
linmin: converged after 3 iterations.
iteration 658: trace = 2.578881665742176 (9.76438e-10% change)
linmin: converged after 7 iterations.
iteration 659: trace = 2.578881665722106 (7.78251e-10% change)
linmin: converged after 10 iterations.
iteration 660: trace = 2.578881665715547 (2.54343e-10% change)
large trace change predicted (1.06009e-09%)
linmin: converged after 10 iterations.
iteration 661: trace = 2.57888166568821 (1.06003e-09% change)
linmin: converged after 15 iterations.
iteration 662: trace = 2.578881665671198 (6.59672e-10% change)
linmin: converged after 5 iterations.
iteration 663: trace = 2.578881665661258 (3.8544e-10% change)
linmin: converged after 5 iterations.
iteration 664: trace = 2.578881665642224 (7.38076e-10% change)
linmin: converged after 6 iterations.
iteration 665: trace = 2.578881665620788 (8.3122e-10% change)
linmin: converged after 8 iterations.
iteration 666: trace = 2.578881665613722 (2.73991e-10% change)
large trace change predicted (8.01187e-10%)
linmin: converged after 12 iterations.
iteration 667: trace = 2.578881665593063 (8.01085e-10% change)
linmin: converged after 9 iterations.
iteration 668: trace = 2.578881665570797 (8.63388e-10% change)
linmin: converged after 6 iterations.
iteration 669: trace = 2.578881665562785 (3.1067e-10% change)
large trace change predicted (6.48335e-10%)
linmin: converged after 14 iterations.
iteration 670: trace = 2.578881665546068 (6.48238e-10% change)
linmin: converged after 2 iterations.
iteration 671: trace = 2.578881665528613 (6.76841e-10% change)
linmin: converged after 5 iterations.
iteration 672: trace = 2.578881665523364 (2.03543e-10% change)
large trace change predicted (5.97932e-10%)
linmin: converged after 5 iterations.
iteration 673: trace = 2.578881665507944 (5.97921e-10% change)
linmin: converged after 9 iterations.
iteration 674: trace = 2.578881665493631 (5.55025e-10% change)
linmin: converged after 6 iterations.
iteration 675: trace = 2.57888166548984 (1.47009e-10% change)
large trace change predicted (3.77037e-10%)
linmin: converged after 6 iterations.
iteration 676: trace = 2.578881665480119 (3.76916e-10% change)
linmin: converged after 5 iterations.
iteration 677: trace = 2.578881665464972 (5.87365e-10% change)
linmin: converged after 4 iterations.
iteration 678: trace = 2.578881665461953 (1.1708e-10% change)
large trace change predicted (6.74851e-10%)
linmin: converged after 4 iterations.
iteration 679: trace = 2.578881665444547 (6.74912e-10% change)
linmin: converged after 4 iterations.
iteration 680: trace = 2.578881665429346 (5.89466e-10% change)
linmin: converged after 7 iterations.
iteration 681: trace = 2.578881665423999 (2.07349e-10% change)
large trace change predicted (5.60156e-10%)
linmin: converged after 5 iterations.
iteration 682: trace = 2.578881665409554 (5.60122e-10% change)
linmin: converged after 3 iterations.
iteration 683: trace = 2.578881665396096 (5.21824e-10% change)
linmin: converged after 3 iterations.
iteration 684: trace = 2.57888166539108 (1.94502e-10% change)
large trace change predicted (6.56312e-10%)
linmin: converged after 16 iterations.
iteration 685: trace = 2.578881665374154 (6.56332e-10% change)
linmin: converged after 7 iterations.
iteration 686: trace = 2.578881665363821 (4.00697e-10% change)
linmin: converged after 9 iterations.
iteration 687: trace = 2.578881665358802 (1.94606e-10% change)
large trace change predicted (4.55198e-10%)
linmin: converged after 10 iterations.
iteration 688: trace = 2.578881665347064 (4.55182e-10% change)
linmin: converged after 4 iterations.
iteration 689: trace = 2.578881665336897 (3.94223e-10% change)
linmin: converged after 16 iterations.
iteration 690: trace = 2.578881665333923 (1.15324e-10% change)
large trace change predicted (3.39979e-10%)
linmin: converged after 4 iterations.
iteration 691: trace = 2.578881665325157 (3.3991e-10% change)
linmin: converged after 4 iterations.
iteration 692: trace = 2.578881665316311 (3.43027e-10% change)
linmin: converged after 6 iterations.
iteration 693: trace = 2.578881665313618 (1.04406e-10% change)
large trace change predicted (2.96526e-10%)
linmin: converged after 7 iterations.
iteration 694: trace = 2.57888166530597 (2.96567e-10% change)
linmin: converged after 6 iterations.
iteration 695: trace = 2.578881665298785 (2.78606e-10% change)
linmin: converged after 7 iterations.
iteration 696: trace = 2.578881665297254 (5.93926e-11% change)
Finished solving for bands 1 to 10 after 696 iterations.
tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357
elapsed time for k point: 16.92340064048767
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
iteration 1: trace = 2.744311410172535 (2.29524% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.727853103981993 (0.601528% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.712444441749315 (0.566464% change)
linmin: converged after 3 iterations.
iteration 4: trace = 2.709059546823127 (0.124869% change)
large trace change predicted (0.449863%)
linmin: converged after 7 iterations.
iteration 5: trace = 2.697340830608071 (0.433513% change)
linmin: converged after 3 iterations.
iteration 6: trace = 2.694429760772978 (0.107982% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.689690564093613 (0.176043% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.684920542952841 (0.177502% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.683317568732568 (0.0597207% change)
large trace change predicted (0.123464%)
linmin: converged after 4 iterations.
iteration 10: trace = 2.680110892691566 (0.119576% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.678993858887157 (0.0416873% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.677047331401911 (0.0726853% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.675749424417922 (0.0484945% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.675253258988021 (0.0185448% change)
large trace change predicted (0.068996%)
linmin: converged after 5 iterations.
iteration 15: trace = 2.67346651688732 (0.0668101% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.672597464826754 (0.0325118% change)
large trace change predicted (0.0848744%)
linmin: converged after 8 iterations.
iteration 17: trace = 2.670556083231295 (0.0764111% change)
linmin: converged after 6 iterations.
iteration 18: trace = 2.669703646499506 (0.0319249% change)
linmin: converged after 6 iterations.
iteration 19: trace = 2.668900101656904 (0.0301032% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.668441533479629 (0.0171834% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.667894062344125 (0.0205186% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.667712188808791 (0.00681735% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.667380419114014 (0.0124373% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.667218855539889 (0.0060572% change)
large trace change predicted (0.0140636%)
linmin: converged after 4 iterations.
iteration 25: trace = 2.666847521292431 (0.0139231% change)
linmin: converged after 3 iterations.
iteration 26: trace = 2.6667143800038 (0.00499258% change)
large trace change predicted (0.0115123%)
linmin: converged after 4 iterations.
iteration 27: trace = 2.66640781126585 (0.0114968% change)
linmin: converged after 11 iterations.
iteration 28: trace = 2.666220086697824 (0.0070406% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.665972895818446 (0.00927164% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.665788972806222 (0.00689915% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.665603882228924 (0.00694342% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.665322188329073 (0.0105683% change)
linmin: converged after 3 iterations.
iteration 33: trace = 2.665175158192592 (0.00551656% change)
linmin: converged after 3 iterations.
iteration 34: trace = 2.664933715828463 (0.00905957% change)
linmin: converged after 3 iterations.
iteration 35: trace = 2.664826780090388 (0.00401278% change)
large trace change predicted (0.00927276%)
linmin: converged after 4 iterations.
iteration 36: trace = 2.66457547825066 (0.00943077% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.664485881232104 (0.00336258% change)
large trace change predicted (0.00824578%)
linmin: converged after 3 iterations.
iteration 38: trace = 2.664263025652231 (0.00836427% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.664167506728726 (0.00358526% change)
large trace change predicted (0.00963708%)
linmin: converged after 3 iterations.
iteration 40: trace = 2.663907469075595 (0.00976104% change)
linmin: converged after 4 iterations.
iteration 41: trace = 2.663804843372543 (0.00385252% change)
large trace change predicted (0.0104144%)
linmin: converged after 4 iterations.
iteration 42: trace = 2.663525567935192 (0.0104846% change)
linmin: converged after 4 iterations.
iteration 43: trace = 2.663401433118001 (0.00466065% change)
large trace change predicted (0.00944252%)
linmin: converged after 4 iterations.
iteration 44: trace = 2.663148934646257 (0.00948075% change)
linmin: converged after 5 iterations.
iteration 45: trace = 2.663044722878014 (0.00391318% change)
large trace change predicted (0.00794065%)
linmin: converged after 6 iterations.
iteration 46: trace = 2.662833185848342 (0.00794374% change)
linmin: converged after 7 iterations.
iteration 47: trace = 2.662716651292053 (0.00437643% change)
linmin: converged after 4 iterations.
iteration 48: trace = 2.662492747508043 (0.0084092% change)
linmin: converged after 4 iterations.
iteration 49: trace = 2.662363037863714 (0.00487186% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.662194241317517 (0.0063403% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.662058110012701 (0.00511363% change)
linmin: converged after 4 iterations.
iteration 52: trace = 2.661879837579253 (0.00669701% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.661724274974738 (0.00584426% change)
linmin: converged after 3 iterations.
iteration 54: trace = 2.661571455766341 (0.00574153% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.661350484327378 (0.00830264% change)
linmin: converged after 4 iterations.
iteration 56: trace = 2.6611907399719 (0.00600256% change)
linmin: converged after 4 iterations.
iteration 57: trace = 2.660967561304287 (0.00838677% change)
linmin: converged after 5 iterations.
iteration 58: trace = 2.66084913615252 (0.00445055% change)
large trace change predicted (0.00999701%)
linmin: converged after 4 iterations.
iteration 59: trace = 2.660585993234703 (0.00988992% change)
linmin: converged after 4 iterations.
iteration 60: trace = 2.660492776586203 (0.00350367% change)
large trace change predicted (0.00837954%)
linmin: converged after 4 iterations.
iteration 61: trace = 2.660271581660874 (0.0083144% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.660168609590275 (0.00387081% change)
large trace change predicted (0.0102888%)
linmin: converged after 4 iterations.
iteration 63: trace = 2.659896367675257 (0.0102345% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.659777297611458 (0.00447659% change)
linmin: converged after 4 iterations.
iteration 65: trace = 2.659570122497851 (0.00778949% change)
linmin: converged after 4 iterations.
iteration 66: trace = 2.659406458669784 (0.00615396% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.659264246045999 (0.00534768% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.659119260361261 (0.00545225% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.659023749085827 (0.0035919% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 70: trace = 2.65891569687871 (0.00406369% change)
large trace change predicted (0.0163852%)
linmin: converged after 3 iterations.
iteration 71: trace = 2.658478029559357 (0.0164617% change)
linmin: converged after 3 iterations.
iteration 72: trace = 2.658118864432807 (0.0135111% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.657882808808801 (0.00888095% change)
linmin: converged after 3 iterations.
iteration 74: trace = 2.657598191615639 (0.010709% change)
linmin: converged after 3 iterations.
iteration 75: trace = 2.65754141878134 (0.00213627% change)
large trace change predicted (0.00463006%)
linmin: converged after 3 iterations.
iteration 76: trace = 2.6574181599615 (0.00463818% change)
linmin: converged after 3 iterations.
iteration 77: trace = 2.657346029134954 (0.00271436% change)
linmin: converged after 4 iterations.
iteration 78: trace = 2.657324623641427 (0.000805525% change)
large trace change predicted (0.00211714%)
linmin: converged after 3 iterations.
iteration 79: trace = 2.657268244732419 (0.00212166% change)
linmin: converged after 4 iterations.
iteration 80: trace = 2.657245571948162 (0.00085324% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.657219519060036 (0.000980452% change)
linmin: converged after 3 iterations.
iteration 82: trace = 2.657182540698972 (0.00139163% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.657167952997687 (0.000548993% change)
large trace change predicted (0.00207297%)
linmin: converged after 3 iterations.
iteration 84: trace = 2.657112818408914 (0.00207496% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.657051996839505 (0.00228904% change)
linmin: converged after 4 iterations.
iteration 86: trace = 2.65701749848855 (0.00129838% change)
large trace change predicted (0.00419276%)
linmin: converged after 3 iterations.
iteration 87: trace = 2.656905828655492 (0.00420291% change)
linmin: converged after 5 iterations.
iteration 88: trace = 2.656840696939022 (0.00245144% change)
linmin: converged after 3 iterations.
iteration 89: trace = 2.656716135156853 (0.00468845% change)
linmin: converged after 4 iterations.
iteration 90: trace = 2.656564648783219 (0.00570218% change)
linmin: converged after 3 iterations.
iteration 91: trace = 2.656504293119446 (0.00227197% change)
large trace change predicted (0.00808399%)
linmin: converged after 4 iterations.
iteration 92: trace = 2.656289710721658 (0.00807795% change)
linmin: converged after 3 iterations.
iteration 93: trace = 2.656193398884594 (0.00362587% change)
linmin: converged after 4 iterations.
iteration 94: trace = 2.656063303563878 (0.00489793% change)
linmin: converged after 4 iterations.
iteration 95: trace = 2.65588978810328 (0.00653302% change)
linmin: converged after 4 iterations.
iteration 96: trace = 2.655839026062192 (0.00191132% change)
large trace change predicted (0.00421328%)
linmin: converged after 4 iterations.
iteration 97: trace = 2.655727133042021 (0.00421318% change)
linmin: converged after 4 iterations.
iteration 98: trace = 2.655616063930675 (0.00418234% change)
linmin: converged after 4 iterations.
iteration 99: trace = 2.655571094945199 (0.00169337% change)
linmin: converged after 3 iterations.
iteration 100: trace = 2.655503705479084 (0.0025377% change)
linmin: converged after 3 iterations.
iteration 101: trace = 2.655488873170593 (0.000558551% change)
large trace change predicted (0.00182285%)
linmin: converged after 4 iterations.
iteration 102: trace = 2.655440488909325 (0.00182206% change)
linmin: converged after 4 iterations.
iteration 103: trace = 2.655383123394544 (0.00216032% change)
linmin: converged after 4 iterations.
iteration 104: trace = 2.655357411136051 (0.000968312% change)
large trace change predicted (0.00357609%)
linmin: converged after 4 iterations.
iteration 105: trace = 2.655262405601 (0.00357795% change)
linmin: converged after 4 iterations.
iteration 106: trace = 2.655229505066107 (0.00123908% change)
large trace change predicted (0.00270573%)
linmin: converged after 3 iterations.
iteration 107: trace = 2.655157599236592 (0.00270812% change)
linmin: converged after 3 iterations.
iteration 108: trace = 2.655030881092197 (0.00477264% change)
linmin: converged after 4 iterations.
iteration 109: trace = 2.654980391165855 (0.00190169% change)
large trace change predicted (0.00534938%)
linmin: converged after 4 iterations.
iteration 110: trace = 2.654838247825655 (0.00535398% change)
linmin: converged after 4 iterations.
iteration 111: trace = 2.654712126604666 (0.00475073% change)
linmin: converged after 4 iterations.
iteration 112: trace = 2.654658435472756 (0.0020225% change)
linmin: converged after 4 iterations.
iteration 113: trace = 2.654566797648508 (0.00345202% change)
linmin: converged after 5 iterations.
iteration 114: trace = 2.654539465977521 (0.00102961% change)
large trace change predicted (0.00383317%)
linmin: converged after 3 iterations.
iteration 115: trace = 2.654437740028257 (0.00383222% change)
linmin: converged after 13 iterations.
iteration 116: trace = 2.65436452799665 (0.00275814% change)
linmin: converged after 3 iterations.
iteration 117: trace = 2.654340158878017 (0.000918082% change)
large trace change predicted (0.00275112%)
linmin: converged after 4 iterations.
iteration 118: trace = 2.654267180109325 (0.00274945% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.654255143822632 (0.00045347% change)
large trace change predicted (0.00136357%)
linmin: converged after 8 iterations.
iteration 120: trace = 2.654218969640244 (0.00136288% change)
linmin: converged after 3 iterations.
iteration 121: trace = 2.654200850635746 (0.000682652% change)
linmin: converged after 4 iterations.
iteration 122: trace = 2.654193372526644 (0.000281747% change)
large trace change predicted (0.000758505%)
linmin: converged after 4 iterations.
iteration 123: trace = 2.654173241575085 (0.000758461% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.654167273712889 (0.000224849% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.654157909158193 (0.000352825% change)
linmin: converged after 4 iterations.
iteration 126: trace = 2.654147418774747 (0.000395244% change)
linmin: converged after 4 iterations.
iteration 127: trace = 2.654143555327086 (0.000145563% change)
large trace change predicted (0.000376651%)
linmin: converged after 3 iterations.
iteration 128: trace = 2.654133558239182 (0.00037666% change)
linmin: converged after 3 iterations.
iteration 129: trace = 2.654120959872817 (0.000474671% change)
linmin: converged after 21 iterations.
iteration 130: trace = 2.654109179577582 (0.00044385% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.654085868645411 (0.0008783% change)
linmin: converged after 6 iterations.
iteration 132: trace = 2.654077836153245 (0.000302647% change)
large trace change predicted (0.000990896%)
linmin: converged after 3 iterations.
iteration 133: trace = 2.654051522513667 (0.000991447% change)
linmin: converged after 3 iterations.
iteration 134: trace = 2.654040114299677 (0.000429842% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.654033606051378 (0.000245221% change)
linmin: converged after 3 iterations.
iteration 136: trace = 2.654022205557455 (0.000429554% change)
linmin: converged after 3 iterations.
iteration 137: trace = 2.654018098603656 (0.000154745% change)
large trace change predicted (0.000481156%)
linmin: converged after 5 iterations.
iteration 138: trace = 2.654005327795167 (0.000481189% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.653997021399157 (0.000312976% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.653995080608912 (7.31271e-05% change)
linmin: converged after 2 iterations.
iteration 141: trace = 2.653992464817057 (9.85606e-05% change)
linmin: converged after 3 iterations.
iteration 142: trace = 2.65399014967916 (8.72323e-05% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.653988580944425 (5.91086e-05% change)
linmin: converged after 3 iterations.
iteration 144: trace = 2.653985739809346 (0.000107052% change)
linmin: converged after 3 iterations.
iteration 145: trace = 2.653984641152611 (4.13965e-05% change)
linmin: converged after 4 iterations.
iteration 146: trace = 2.653982736506997 (7.17655e-05% change)
linmin: converged after 7 iterations.
iteration 147: trace = 2.653979596551558 (0.000118311% change)
linmin: converged after 4 iterations.
iteration 148: trace = 2.653979052575707 (2.04966e-05% change)
large trace change predicted (9.46882e-05%)
linmin: converged after 3 iterations.
iteration 149: trace = 2.653976539466266 (9.46922e-05% change)
linmin: converged after 3 iterations.
iteration 150: trace = 2.653975151881646 (5.22832e-05% change)
linmin: converged after 5 iterations.
iteration 151: trace = 2.653973691954598 (5.50091e-05% change)
large trace change predicted (0.000111661%)
linmin: converged after 3 iterations.
iteration 152: trace = 2.653970728523313 (0.00011166% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.653968438090717 (8.63021e-05% change)
linmin: converged after 2 iterations.
iteration 154: trace = 2.653966784561564 (6.2304e-05% change)
large trace change predicted (0.000206075%)
linmin: converged after 5 iterations.
iteration 155: trace = 2.653961315079321 (0.000206087% change)
linmin: converged after 3 iterations.
iteration 156: trace = 2.653959584120117 (6.52217e-05% change)
large trace change predicted (0.000249312%)
linmin: converged after 3 iterations.
iteration 157: trace = 2.65395296754646 (0.00024931% change)
linmin: converged after 4 iterations.
iteration 158: trace = 2.653947560836003 (0.000203723% change)
linmin: converged after 3 iterations.
iteration 159: trace = 2.653944309648854 (0.000122504% change)
large trace change predicted (0.000321213%)
linmin: converged after 4 iterations.
iteration 160: trace = 2.65393578269613 (0.000321294% change)
linmin: converged after 4 iterations.
iteration 161: trace = 2.653926965929053 (0.000332215% change)
linmin: converged after 4 iterations.
iteration 162: trace = 2.653925360915887 (6.04769e-05% change)
large trace change predicted (0.000210665%)
linmin: converged after 4 iterations.
iteration 163: trace = 2.653919769468554 (0.000210686% change)
linmin: converged after 3 iterations.
iteration 164: trace = 2.653917949358118 (6.8582e-05% change)
linmin: converged after 8 iterations.
iteration 165: trace = 2.653915873877871 (7.82044e-05% change)
linmin: converged after 3 iterations.
iteration 166: trace = 2.653913454543818 (9.1161e-05% change)
linmin: converged after 3 iterations.
iteration 167: trace = 2.653912730379727 (2.72867e-05% change)
large trace change predicted (0.00010043%)
linmin: converged after 5 iterations.
iteration 168: trace = 2.653910064827467 (0.000100439% change)
linmin: converged after 4 iterations.
iteration 169: trace = 2.653908234667604 (6.89609e-05% change)
linmin: converged after 3 iterations.
iteration 170: trace = 2.653907652618004 (2.19318e-05% change)
large trace change predicted (7.38625e-05%)
linmin: converged after 3 iterations.
iteration 171: trace = 2.653905692644661 (7.38524e-05% change)
linmin: converged after 4 iterations.
iteration 172: trace = 2.653904098895143 (6.0053e-05% change)
linmin: converged after 3 iterations.
iteration 173: trace = 2.653903597632391 (1.88878e-05% change)
large trace change predicted (6.97881e-05%)
linmin: converged after 5 iterations.
iteration 174: trace = 2.653901745726903 (6.97805e-05% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.653900307126863 (5.4207e-05% change)
linmin: converged after 4 iterations.
iteration 176: trace = 2.653899658444773 (2.44426e-05% change)
large trace change predicted (8.21584e-05%)
linmin: converged after 3 iterations.
iteration 177: trace = 2.653897478275626 (8.21497e-05% change)
linmin: converged after 4 iterations.
iteration 178: trace = 2.653894782819264 (0.000101566% change)
linmin: converged after 31 iterations.
iteration 179: trace = 2.653893723787848 (3.99048e-05% change)
large trace change predicted (0.000173279%)
linmin: converged after 5 iterations.
iteration 180: trace = 2.653889125017648 (0.000173284% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.653888300310475 (3.10754e-05% change)
large trace change predicted (9.92876e-05%)
linmin: converged after 4 iterations.
iteration 182: trace = 2.653885665113354 (9.92958e-05% change)
linmin: converged after 3 iterations.
iteration 183: trace = 2.653883597375262 (7.79136e-05% change)
linmin: converged after 3 iterations.
iteration 184: trace = 2.653882449471755 (4.32537e-05% change)
linmin: converged after 3 iterations.
iteration 185: trace = 2.653880512402468 (7.299e-05% change)
linmin: converged after 3 iterations.
iteration 186: trace = 2.653880029345772 (1.82019e-05% change)
linmin: converged after 4 iterations.
iteration 187: trace = 2.653879271442776 (2.85583e-05% change)
linmin: converged after 2 iterations.
iteration 188: trace = 2.653878601734299 (2.52351e-05% change)
linmin: converged after 4 iterations.
iteration 189: trace = 2.6538784001655 (7.59525e-06% change)
large trace change predicted (1.88307e-05%)
linmin: converged after 3 iterations.
iteration 190: trace = 2.653877900427086 (1.88305e-05% change)
linmin: converged after 4 iterations.
iteration 191: trace = 2.653877421558993 (1.80441e-05% change)
linmin: converged after 2 iterations.
iteration 192: trace = 2.65387730987687 (4.20826e-06% change)
large trace change predicted (1.21109e-05%)
linmin: converged after 3 iterations.
iteration 193: trace = 2.653876988472429 (1.21108e-05% change)
linmin: converged after 4 iterations.
iteration 194: trace = 2.653876701439056 (1.08156e-05% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.653876503410812 (7.46185e-06% change)
large trace change predicted (1.82642e-05%)
linmin: converged after 5 iterations.
iteration 196: trace = 2.653876018717266 (1.82636e-05% change)
linmin: converged after 11 iterations.
iteration 197: trace = 2.653875743899023 (1.03554e-05% change)
large trace change predicted (2.57543e-05%)
linmin: converged after 4 iterations.
iteration 198: trace = 2.653875060450527 (2.57528e-05% change)
linmin: converged after 3 iterations.
iteration 199: trace = 2.653874147184598 (3.44126e-05% change)
linmin: converged after 3 iterations.
iteration 200: trace = 2.653873614591419 (2.00685e-05% change)
linmin: converged after 4 iterations.
iteration 201: trace = 2.6538729333311 (2.56704e-05% change)
linmin: converged after 3 iterations.
iteration 202: trace = 2.653871895566034 (3.91038e-05% change)
linmin: converged after 15 iterations.
iteration 203: trace = 2.65387155607623 (1.27922e-05% change)
large trace change predicted (3.29723e-05%)
linmin: converged after 3 iterations.
iteration 204: trace = 2.653870680971224 (3.29747e-05% change)
linmin: converged after 21 iterations.
iteration 205: trace = 2.653870122826004 (2.10314e-05% change)
linmin: converged after 5 iterations.
iteration 206: trace = 2.653869969560776 (5.77516e-06% change)
large trace change predicted (1.29054e-05%)
linmin: converged after 3 iterations.
iteration 207: trace = 2.653869627068521 (1.29054e-05% change)
linmin: converged after 4 iterations.
iteration 208: trace = 2.653869358862778 (1.01062e-05% change)
linmin: converged after 5 iterations.
iteration 209: trace = 2.653869078066302 (1.05806e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 210: trace = 2.653868925079117 (5.76468e-06% change)
linmin: converged after 10 iterations.
iteration 211: trace = 2.65386885402022 (2.67756e-06% change)
linmin: converged after 2 iterations.
iteration 212: trace = 2.653868738796709 (4.34172e-06% change)
linmin: converged after 4 iterations.
iteration 213: trace = 2.653868657394825 (3.06729e-06% change)
large trace change predicted (6.76972e-06%)
linmin: converged after 2 iterations.
iteration 214: trace = 2.653868477723293 (6.77017e-06% change)
linmin: converged after 2 iterations.
iteration 215: trace = 2.653868237619988 (9.0473e-06% change)
linmin: converged after 6 iterations.
iteration 216: trace = 2.653868167286306 (2.65023e-06% change)
large trace change predicted (1.06308e-05%)
linmin: converged after 3 iterations.
iteration 217: trace = 2.653867885147639 (1.06312e-05% change)
linmin: converged after 4 iterations.
iteration 218: trace = 2.653867608071129 (1.04405e-05% change)
linmin: converged after 3 iterations.
iteration 219: trace = 2.65386744165509 (6.2707e-06% change)
large trace change predicted (1.45434e-05%)
linmin: converged after 2 iterations.
iteration 220: trace = 2.653867055690426 (1.45435e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 2.653866913835114 (5.34523e-06% change)
linmin: converged after 2 iterations.
iteration 222: trace = 2.653866652758798 (9.83758e-06% change)
linmin: converged after 2 iterations.
iteration 223: trace = 2.653866355935795 (1.11845e-05% change)
linmin: converged after 2 iterations.
iteration 224: trace = 2.653866272878552 (3.12967e-06% change)
large trace change predicted (6.68331e-06%)
linmin: converged after 3 iterations.
iteration 225: trace = 2.653866095517378 (6.68312e-06% change)
linmin: converged after 4 iterations.
iteration 226: trace = 2.653865950140019 (5.47795e-06% change)
linmin: converged after 2 iterations.
iteration 227: trace = 2.653865910912876 (1.47811e-06% change)
large trace change predicted (5.24753e-06%)
linmin: converged after 4 iterations.
iteration 228: trace = 2.6538657716561 (5.24732e-06% change)
linmin: converged after 3 iterations.
iteration 229: trace = 2.653865715078113 (2.13191e-06% change)
linmin: converged after 4 iterations.
iteration 230: trace = 2.653865636506092 (2.96066e-06% change)
linmin: converged after 28 iterations.
iteration 231: trace = 2.653865564265992 (2.72207e-06% change)
linmin: converged after 3 iterations.
iteration 232: trace = 2.653865464245028 (3.76888e-06% change)
linmin: converged after 3 iterations.
iteration 233: trace = 2.653865437462328 (1.0092e-06% change)
large trace change predicted (5.0147e-06%)
linmin: converged after 3 iterations.
iteration 234: trace = 2.653865304386845 (5.0144e-06% change)
linmin: converged after 4 iterations.
iteration 235: trace = 2.65386519536098 (4.10819e-06% change)
linmin: converged after 2 iterations.
iteration 236: trace = 2.653865111140421 (3.17351e-06% change)
large trace change predicted (8.85399e-06%)
linmin: converged after 5 iterations.
iteration 237: trace = 2.653864876182085 (8.85344e-06% change)
linmin: converged after 5 iterations.
iteration 238: trace = 2.653864810780303 (2.4644e-06% change)
large trace change predicted (1.39121e-05%)
linmin: converged after 3 iterations.
iteration 239: trace = 2.65386444158312 (1.39117e-05% change)
linmin: converged after 2 iterations.
iteration 240: trace = 2.653864092884526 (1.31393e-05% change)
linmin: converged after 3 iterations.
iteration 241: trace = 2.653863976297839 (4.39309e-06% change)
linmin: converged after 2 iterations.
iteration 242: trace = 2.653863767119183 (7.88204e-06% change)
linmin: converged after 2 iterations.
iteration 243: trace = 2.653863499038534 (1.01015e-05% change)
linmin: converged after 2 iterations.
iteration 244: trace = 2.65386341956879 (2.99449e-06% change)
large trace change predicted (8.43221e-06%)
linmin: converged after 2 iterations.
iteration 245: trace = 2.653863195775577 (8.43273e-06% change)
linmin: converged after 2 iterations.
iteration 246: trace = 2.653863002305884 (7.29012e-06% change)
linmin: converged after 3 iterations.
iteration 247: trace = 2.653862939461485 (2.36803e-06% change)
linmin: converged after 7 iterations.
iteration 248: trace = 2.653862838047807 (3.82136e-06% change)
linmin: converged after 2 iterations.
iteration 249: trace = 2.653862750547567 (3.29709e-06% change)
linmin: converged after 9 iterations.
iteration 250: trace = 2.653862731551472 (7.1579e-07% change)
large trace change predicted (2.498e-06%)
linmin: converged after 3 iterations.
iteration 251: trace = 2.653862665259322 (2.49795e-06% change)
linmin: converged after 3 iterations.
iteration 252: trace = 2.653862631829987 (1.25965e-06% change)
linmin: converged after 3 iterations.
iteration 253: trace = 2.653862598619071 (1.25142e-06% change)
linmin: converged after 4 iterations.
iteration 254: trace = 2.653862553637281 (1.69496e-06% change)
linmin: converged after 3 iterations.
iteration 255: trace = 2.653862499020986 (2.05799e-06% change)
linmin: converged after 2 iterations.
iteration 256: trace = 2.653862476489225 (8.49018e-07% change)
large trace change predicted (3.93247e-06%)
linmin: converged after 5 iterations.
iteration 257: trace = 2.653862372131893 (3.93228e-06% change)
linmin: converged after 24 iterations.
iteration 258: trace = 2.653862348759161 (8.80706e-07% change)
large trace change predicted (4.30763e-06%)
linmin: converged after 3 iterations.
iteration 259: trace = 2.65386223444527 (4.30745e-06% change)
linmin: converged after 3 iterations.
iteration 260: trace = 2.653862135935652 (3.71193e-06% change)
linmin: converged after 3 iterations.
iteration 261: trace = 2.653862104064693 (1.20093e-06% change)
large trace change predicted (3.53299e-06%)
linmin: converged after 2 iterations.
iteration 262: trace = 2.65386201030362 (3.533e-06% change)
linmin: converged after 3 iterations.
iteration 263: trace = 2.653861927898538 (3.1051e-06% change)
linmin: converged after 2 iterations.
iteration 264: trace = 2.653861896369311 (1.18805e-06% change)
linmin: converged after 4 iterations.
iteration 265: trace = 2.653861837885878 (2.20371e-06% change)
linmin: converged after 2 iterations.
iteration 266: trace = 2.653861792896794 (1.69523e-06% change)
linmin: converged after 3 iterations.
iteration 267: trace = 2.653861759420286 (1.26143e-06% change)
linmin: converged after 2 iterations.
iteration 268: trace = 2.653861720311059 (1.47367e-06% change)
linmin: converged after 4 iterations.
iteration 269: trace = 2.653861710725057 (3.6121e-07% change)
large trace change predicted (9.52169e-07%)
linmin: converged after 2 iterations.
iteration 270: trace = 2.65386168545558 (9.52178e-07% change)
linmin: converged after 5 iterations.
iteration 271: trace = 2.653861666931449 (6.98007e-07% change)
linmin: converged after 6 iterations.
iteration 272: trace = 2.653861660748593 (2.32976e-07% change)
linmin: converged after 4 iterations.
iteration 273: trace = 2.653861650914114 (3.70572e-07% change)
linmin: converged after 2 iterations.
iteration 274: trace = 2.653861639321258 (4.3683e-07% change)
linmin: converged after 4 iterations.
iteration 275: trace = 2.653861636727051 (9.77522e-08% change)
large trace change predicted (5.0528e-07%)
linmin: converged after 2 iterations.
iteration 276: trace = 2.653861623317571 (5.05282e-07% change)
linmin: converged after 3 iterations.
iteration 277: trace = 2.653861615551344 (2.92639e-07% change)
linmin: converged after 3 iterations.
iteration 278: trace = 2.653861610178305 (2.02461e-07% change)
large trace change predicted (1.72368e-06%)
linmin: converged after 5 iterations.
iteration 279: trace = 2.653861564434906 (1.72365e-06% change)
resetting CG direction...
linmin: converged after 20 iterations.
iteration 280: trace = 2.653861550375273 (5.2978e-07% change)
linmin: converged after 18 iterations.
iteration 281: trace = 2.653861533159478 (6.48707e-07% change)
linmin: converged after 10 iterations.
iteration 282: trace = 2.653861521115103 (4.53843e-07% change)
linmin: converged after 5 iterations.
iteration 283: trace = 2.653861516953647 (1.56808e-07% change)
large trace change predicted (3.19547e-07%)
linmin: converged after 2 iterations.
iteration 284: trace = 2.653861508473216 (3.19551e-07% change)
linmin: converged after 4 iterations.
iteration 285: trace = 2.653861501935062 (2.46364e-07% change)
linmin: converged after 2 iterations.
iteration 286: trace = 2.65386149731999 (1.739e-07% change)
large trace change predicted (3.9222e-07%)
linmin: converged after 3 iterations.
iteration 287: trace = 2.653861486911017 (3.9222e-07% change)
linmin: converged after 12 iterations.
iteration 288: trace = 2.653861481122196 (2.18128e-07% change)
linmin: converged after 2 iterations.
iteration 289: trace = 2.653861475156671 (2.24787e-07% change)
large trace change predicted (5.66199e-07%)
linmin: converged after 3 iterations.
iteration 290: trace = 2.653861460130549 (5.66198e-07% change)
linmin: converged after 4 iterations.
iteration 291: trace = 2.653861454278267 (2.20519e-07% change)
large trace change predicted (6.21929e-07%)
linmin: converged after 24 iterations.
iteration 292: trace = 2.653861437772868 (6.21939e-07% change)
linmin: converged after 3 iterations.
iteration 293: trace = 2.653861418071272 (7.42375e-07% change)
linmin: converged after 2 iterations.
iteration 294: trace = 2.653861409006131 (3.41583e-07% change)
large trace change predicted (9.24339e-07%)
linmin: converged after 3 iterations.
iteration 295: trace = 2.653861384475761 (9.24327e-07% change)
linmin: converged after 3 iterations.
iteration 296: trace = 2.653861360407902 (9.069e-07% change)
linmin: converged after 4 iterations.
iteration 297: trace = 2.653861352155527 (3.10957e-07% change)
large trace change predicted (1.24076e-06%)
linmin: converged after 3 iterations.
iteration 298: trace = 2.653861319227775 (1.24075e-06% change)
linmin: converged after 13 iterations.
iteration 299: trace = 2.65386130224904 (6.39775e-07% change)
linmin: converged after 3 iterations.
iteration 300: trace = 2.653861282671801 (7.37689e-07% change)
linmin: converged after 5 iterations.
iteration 301: trace = 2.653861260636838 (8.30298e-07% change)
linmin: converged after 11 iterations.
iteration 302: trace = 2.653861251811262 (3.32556e-07% change)
linmin: converged after 5 iterations.
iteration 303: trace = 2.653861234499165 (6.52336e-07% change)
linmin: converged after 5 iterations.
iteration 304: trace = 2.65386122012131 (5.41771e-07% change)
linmin: converged after 3 iterations.
iteration 305: trace = 2.653861216396757 (1.40345e-07% change)
large trace change predicted (3.07863e-07%)
linmin: converged after 4 iterations.
iteration 306: trace = 2.653861208226429 (3.07866e-07% change)
linmin: converged after 4 iterations.
iteration 307: trace = 2.653861199165063 (3.41441e-07% change)
linmin: converged after 3 iterations.
iteration 308: trace = 2.653861197442059 (6.49244e-08% change)
large trace change predicted (3.45227e-07%)
linmin: converged after 2 iterations.
iteration 309: trace = 2.653861188280197 (3.45228e-07% change)
linmin: converged after 2 iterations.
iteration 310: trace = 2.653861179736291 (3.21942e-07% change)
linmin: converged after 4 iterations.
iteration 311: trace = 2.653861173933652 (2.18649e-07% change)
linmin: converged after 3 iterations.
iteration 312: trace = 2.653861168434974 (2.07195e-07% change)
large trace change predicted (4.92209e-07%)
linmin: converged after 4 iterations.
iteration 313: trace = 2.653861155372515 (4.92206e-07% change)
linmin: converged after 4 iterations.
iteration 314: trace = 2.653861150083162 (1.99308e-07% change)
large trace change predicted (4.55581e-07%)
linmin: converged after 8 iterations.
iteration 315: trace = 2.653861137992869 (4.55574e-07% change)
linmin: converged after 11 iterations.
iteration 316: trace = 2.653861122355589 (5.89228e-07% change)
linmin: converged after 18 iterations.
iteration 317: trace = 2.653861117798604 (1.71712e-07% change)
large trace change predicted (4.97835e-07%)
linmin: converged after 10 iterations.
iteration 318: trace = 2.653861104586823 (4.97832e-07% change)
linmin: converged after 2 iterations.
iteration 319: trace = 2.653861092670461 (4.4902e-07% change)
linmin: converged after 3 iterations.
iteration 320: trace = 2.653861087498114 (1.94899e-07% change)
large trace change predicted (6.37322e-07%)
linmin: converged after 2 iterations.
iteration 321: trace = 2.653861070584414 (6.37324e-07% change)
linmin: converged after 3 iterations.
iteration 322: trace = 2.653861067551996 (1.14264e-07% change)
large trace change predicted (2.31387e-07%)
linmin: converged after 4 iterations.
iteration 323: trace = 2.65386106141127 (2.31388e-07% change)
linmin: converged after 3 iterations.
iteration 324: trace = 2.653861056695451 (1.77697e-07% change)
linmin: converged after 4 iterations.
iteration 325: trace = 2.65386105544654 (4.70601e-08% change)
large trace change predicted (1.198e-07%)
linmin: converged after 7 iterations.
iteration 326: trace = 2.653861052267201 (1.19801e-07% change)
linmin: converged after 8 iterations.
iteration 327: trace = 2.653861049784804 (9.35391e-08% change)
linmin: converged after 6 iterations.
iteration 328: trace = 2.653861048816704 (3.64789e-08% change)
linmin: converged after 4 iterations.
iteration 329: trace = 2.653861047196903 (6.10356e-08% change)
linmin: converged after 25 iterations.
iteration 330: trace = 2.653861046134907 (4.0017e-08% change)
linmin: converged after 6 iterations.
iteration 331: trace = 2.653861044752584 (5.20872e-08% change)
linmin: converged after 3 iterations.
iteration 332: trace = 2.653861042721359 (7.65385e-08% change)
linmin: converged after 30 iterations.
iteration 333: trace = 2.653861042116108 (2.28064e-08% change)
large trace change predicted (1.13853e-07%)
linmin: converged after 2 iterations.
iteration 334: trace = 2.653861039094593 (1.13854e-07% change)
linmin: converged after 3 iterations.
iteration 335: trace = 2.653861036131572 (1.11649e-07% change)
linmin: converged after 27 iterations.
iteration 336: trace = 2.653861034242886 (7.11675e-08% change)
linmin: converged after 4 iterations.
iteration 337: trace = 2.653861030716774 (1.32867e-07% change)
linmin: converged after 22 iterations.
iteration 338: trace = 2.653861026751165 (1.49428e-07% change)
linmin: converged after 3 iterations.
iteration 339: trace = 2.653861023211925 (1.33362e-07% change)
linmin: converged after 3 iterations.
iteration 340: trace = 2.653861021859958 (5.09434e-08% change)
large trace change predicted (1.35994e-07%)
linmin: converged after 4 iterations.
iteration 341: trace = 2.653861018250889 (1.35993e-07% change)
linmin: converged after 4 iterations.
iteration 342: trace = 2.653861017185342 (4.01508e-08% change)
large trace change predicted (8.60729e-08%)
linmin: converged after 29 iterations.
iteration 343: trace = 2.653861014901093 (8.60727e-08% change)
linmin: converged after 4 iterations.
iteration 344: trace = 2.653861012009986 (1.0894e-07% change)
linmin: converged after 32 iterations.
iteration 345: trace = 2.653861011520676 (1.84377e-08% change)
large trace change predicted (7.53211e-08%)
linmin: converged after 4 iterations.
iteration 346: trace = 2.65386100952177 (7.53207e-08% change)
linmin: converged after 11 iterations.
iteration 347: trace = 2.653861008483884 (3.91085e-08% change)
linmin: converged after 3 iterations.
iteration 348: trace = 2.653861008068904 (1.56368e-08% change)
large trace change predicted (4.68855e-08%)
linmin: converged after 2 iterations.
iteration 349: trace = 2.65386100682463 (4.68854e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 350: trace = 2.653861006025447 (3.0114e-08% change)
linmin: converged after 4 iterations.
iteration 351: trace = 2.653861005676052 (1.31655e-08% change)
large trace change predicted (2.95944e-08%)
linmin: converged after 2 iterations.
iteration 352: trace = 2.653861004890656 (2.95945e-08% change)
linmin: converged after 6 iterations.
iteration 353: trace = 2.653861003736128 (4.35037e-08% change)
linmin: converged after 18 iterations.
iteration 354: trace = 2.653861003287212 (1.69156e-08% change)
large trace change predicted (6.13576e-08%)
linmin: converged after 15 iterations.
iteration 355: trace = 2.653861001658863 (6.13578e-08% change)
linmin: converged after 3 iterations.
iteration 356: trace = 2.653861001224155 (1.63802e-08% change)
large trace change predicted (6.75109e-08%)
linmin: converged after 4 iterations.
iteration 357: trace = 2.65386099943251 (6.75109e-08% change)
linmin: converged after 2 iterations.
iteration 358: trace = 2.653860997557949 (7.06353e-08% change)
linmin: converged after 3 iterations.
iteration 359: trace = 2.653860996942836 (2.31781e-08% change)
large trace change predicted (7.98076e-08%)
linmin: converged after 4 iterations.
iteration 360: trace = 2.653860994824857 (7.98075e-08% change)
linmin: converged after 4 iterations.
iteration 361: trace = 2.653860993724631 (4.14575e-08% change)
linmin: converged after 3 iterations.
iteration 362: trace = 2.653860992369909 (5.10472e-08% change)
linmin: converged after 4 iterations.
iteration 363: trace = 2.653860990436661 (7.28466e-08% change)
linmin: converged after 4 iterations.
iteration 364: trace = 2.653860989954883 (1.81539e-08% change)
large trace change predicted (4.99506e-08%)
linmin: converged after 3 iterations.
iteration 365: trace = 2.653860988629264 (4.99506e-08% change)
linmin: converged after 2 iterations.
iteration 366: trace = 2.653860987592098 (3.90814e-08% change)
linmin: converged after 2 iterations.
iteration 367: trace = 2.653860987302343 (1.09183e-08% change)
large trace change predicted (2.99052e-08%)
linmin: converged after 4 iterations.
iteration 368: trace = 2.653860986508704 (2.99051e-08% change)
linmin: converged after 2 iterations.
iteration 369: trace = 2.653860985777513 (2.7552e-08% change)
linmin: converged after 4 iterations.
iteration 370: trace = 2.653860985541496 (8.89336e-09% change)
linmin: converged after 5 iterations.
iteration 371: trace = 2.653860985182945 (1.35105e-08% change)
linmin: converged after 9 iterations.
iteration 372: trace = 2.653860984531133 (2.45609e-08% change)
linmin: converged after 4 iterations.
iteration 373: trace = 2.653860984357667 (6.53637e-09% change)
large trace change predicted (3.17096e-08%)
linmin: converged after 4 iterations.
iteration 374: trace = 2.653860983516143 (3.17094e-08% change)
linmin: converged after 4 iterations.
iteration 375: trace = 2.653860982746636 (2.89958e-08% change)
linmin: converged after 6 iterations.
iteration 376: trace = 2.653860982367601 (1.42824e-08% change)
large trace change predicted (5.63534e-08%)
linmin: converged after 2 iterations.
iteration 377: trace = 2.65386098087206 (5.63534e-08% change)
linmin: converged after 4 iterations.
iteration 378: trace = 2.653860980325325 (2.06015e-08% change)
large trace change predicted (7.91561e-08%)
linmin: converged after 4 iterations.
iteration 379: trace = 2.653860978224627 (7.91563e-08% change)
linmin: converged after 2 iterations.
iteration 380: trace = 2.65386097657802 (6.20457e-08% change)
linmin: converged after 4 iterations.
iteration 381: trace = 2.653860974677374 (7.16182e-08% change)
linmin: converged after 3 iterations.
iteration 382: trace = 2.653860974248397 (1.61642e-08% change)
large trace change predicted (5.56889e-08%)
linmin: converged after 10 iterations.
iteration 383: trace = 2.653860972770481 (5.56893e-08% change)
linmin: converged after 4 iterations.
iteration 384: trace = 2.653860971403246 (5.15187e-08% change)
linmin: converged after 3 iterations.
iteration 385: trace = 2.653860971106946 (1.11648e-08% change)
large trace change predicted (4.60698e-08%)
linmin: converged after 24 iterations.
iteration 386: trace = 2.653860969884318 (4.60698e-08% change)
linmin: converged after 3 iterations.
iteration 387: trace = 2.65386096918897 (2.62014e-08% change)
linmin: converged after 15 iterations.
iteration 388: trace = 2.65386096901819 (6.43513e-09% change)
large trace change predicted (1.86457e-08%)
linmin: converged after 18 iterations.
iteration 389: trace = 2.653860968523357 (1.86458e-08% change)
linmin: converged after 3 iterations.
iteration 390: trace = 2.653860968158674 (1.37416e-08% change)
linmin: converged after 35 iterations.
iteration 391: trace = 2.653860967960512 (7.46696e-09% change)
linmin: converged after 3 iterations.
iteration 392: trace = 2.653860967648039 (1.17743e-08% change)
linmin: converged after 18 iterations.
iteration 393: trace = 2.653860967490427 (5.93898e-09% change)
linmin: converged after 4 iterations.
iteration 394: trace = 2.653860967241791 (9.36887e-09% change)
linmin: converged after 2 iterations.
iteration 395: trace = 2.653860966809531 (1.6288e-08% change)
linmin: converged after 6 iterations.
iteration 396: trace = 2.653860966706069 (3.89855e-09% change)
large trace change predicted (2.54919e-08%)
linmin: converged after 23 iterations.
iteration 397: trace = 2.653860966029556 (2.54917e-08% change)
linmin: converged after 6 iterations.
iteration 398: trace = 2.653860965630015 (1.50551e-08% change)
linmin: converged after 3 iterations.
iteration 399: trace = 2.653860965304476 (1.22666e-08% change)
large trace change predicted (2.54255e-08%)
linmin: converged after 25 iterations.
iteration 400: trace = 2.65386096462972 (2.54254e-08% change)
linmin: converged after 3 iterations.
iteration 401: trace = 2.653860964155916 (1.78534e-08% change)
linmin: converged after 3 iterations.
iteration 402: trace = 2.653860963907952 (9.34351e-09% change)
large trace change predicted (2.29606e-08%)
linmin: converged after 6 iterations.
iteration 403: trace = 2.653860963298608 (2.29606e-08% change)
linmin: converged after 3 iterations.
iteration 404: trace = 2.653860962880434 (1.57572e-08% change)
linmin: converged after 26 iterations.
iteration 405: trace = 2.653860962648136 (8.7532e-09% change)
linmin: converged after 5 iterations.
iteration 406: trace = 2.653860962335183 (1.17924e-08% change)
linmin: converged after 24 iterations.
iteration 407: trace = 2.653860962126452 (7.86516e-09% change)
linmin: converged after 8 iterations.
iteration 408: trace = 2.653860962024114 (3.85618e-09% change)
linmin: converged after 2 iterations.
iteration 409: trace = 2.653860961824432 (7.52421e-09% change)
linmin: converged after 21 iterations.
iteration 410: trace = 2.653860961752544 (2.70882e-09% change)
linmin: converged after 7 iterations.
iteration 411: trace = 2.653860961683975 (2.58373e-09% change)
linmin: converged after 5 iterations.
iteration 412: trace = 2.653860961592263 (3.45581e-09% change)
linmin: converged after 10 iterations.
iteration 413: trace = 2.653860961543851 (1.82422e-09% change)
linmin: converged after 4 iterations.
iteration 414: trace = 2.653860961479011 (2.4432e-09% change)
linmin: converged after 4 iterations.
iteration 415: trace = 2.653860961392956 (3.24266e-09% change)
linmin: converged after 5 iterations.
iteration 416: trace = 2.65386096131743 (2.84587e-09% change)
linmin: converged after 15 iterations.
iteration 417: trace = 2.653860961274856 (1.60424e-09% change)
large trace change predicted (7.61443e-09%)
linmin: converged after 19 iterations.
iteration 418: trace = 2.653860961072778 (7.61449e-09% change)
linmin: converged after 4 iterations.
iteration 419: trace = 2.653860960828427 (9.20737e-09% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 420: trace = 2.653860960647904 (6.80228e-09% change)
linmin: converged after 19 iterations.
iteration 421: trace = 2.653860960488238 (6.01639e-09% change)
linmin: converged after 15 iterations.
iteration 422: trace = 2.653860960457683 (1.15131e-09% change)
linmin: converged after 4 iterations.
iteration 423: trace = 2.653860960397895 (2.25288e-09% change)
linmin: converged after 4 iterations.
iteration 424: trace = 2.653860960331005 (2.52048e-09% change)
linmin: converged after 19 iterations.
iteration 425: trace = 2.653860960313058 (6.76259e-10% change)
large trace change predicted (3.02963e-09%)
linmin: converged after 4 iterations.
iteration 426: trace = 2.653860960232654 (3.02972e-09% change)
linmin: converged after 18 iterations.
iteration 427: trace = 2.653860960202634 (1.13116e-09% change)
linmin: converged after 15 iterations.
iteration 428: trace = 2.653860960151567 (1.92426e-09% change)
linmin: converged after 4 iterations.
iteration 429: trace = 2.653860960075439 (2.86859e-09% change)
linmin: converged after 12 iterations.
iteration 430: trace = 2.653860960049703 (9.69752e-10% change)
large trace change predicted (3.48318e-09%)
linmin: converged after 2 iterations.
iteration 431: trace = 2.653860959957266 (3.48312e-09% change)
linmin: converged after 4 iterations.
iteration 432: trace = 2.653860959834929 (4.60977e-09% change)
linmin: converged after 21 iterations.
iteration 433: trace = 2.653860959792721 (1.59042e-09% change)
large trace change predicted (5.51401e-09%)
linmin: converged after 3 iterations.
iteration 434: trace = 2.65386095964639 (5.51391e-09% change)
linmin: converged after 9 iterations.
iteration 435: trace = 2.653860959509967 (5.14053e-09% change)
linmin: converged after 8 iterations.
iteration 436: trace = 2.653860959455933 (2.03606e-09% change)
large trace change predicted (6.5289e-09%)
linmin: converged after 9 iterations.
iteration 437: trace = 2.653860959282671 (6.5287e-09% change)
linmin: converged after 24 iterations.
iteration 438: trace = 2.65386095908555 (7.42767e-09% change)
linmin: converged after 4 iterations.
iteration 439: trace = 2.653860959040805 (1.68604e-09% change)
large trace change predicted (8.09764e-09%)
linmin: converged after 3 iterations.
iteration 440: trace = 2.653860958825907 (8.09759e-09% change)
linmin: converged after 10 iterations.
iteration 441: trace = 2.653860958707799 (4.4504e-09% change)
linmin: converged after 16 iterations.
iteration 442: trace = 2.653860958660138 (1.79593e-09% change)
large trace change predicted (5.15645e-09%)
linmin: converged after 4 iterations.
iteration 443: trace = 2.653860958523291 (5.15652e-09% change)
linmin: converged after 13 iterations.
iteration 444: trace = 2.653860958429302 (3.54157e-09% change)
linmin: converged after 4 iterations.
iteration 445: trace = 2.653860958410826 (6.96206e-10% change)
large trace change predicted (2.13082e-09%)
linmin: converged after 12 iterations.
iteration 446: trace = 2.653860958354281 (2.13069e-09% change)
linmin: converged after 12 iterations.
iteration 447: trace = 2.653860958306856 (1.78701e-09% change)
linmin: converged after 16 iterations.
iteration 448: trace = 2.653860958291415 (5.81831e-10% change)
large trace change predicted (2.31693e-09%)
linmin: converged after 14 iterations.
iteration 449: trace = 2.653860958229925 (2.31702e-09% change)
linmin: converged after 9 iterations.
iteration 450: trace = 2.653860958176105 (2.02796e-09% change)
linmin: converged after 15 iterations.
iteration 451: trace = 2.653860958134957 (1.55051e-09% change)
linmin: converged after 13 iterations.
iteration 452: trace = 2.653860958103313 (1.19238e-09% change)
large trace change predicted (3.16997e-09%)
linmin: converged after 3 iterations.
iteration 453: trace = 2.653860958019188 (3.1699e-09% change)
linmin: converged after 16 iterations.
iteration 454: trace = 2.653860957973268 (1.73033e-09% change)
linmin: converged after 13 iterations.
iteration 455: trace = 2.653860957912659 (2.28378e-09% change)
linmin: converged after 4 iterations.
iteration 456: trace = 2.653860957802967 (4.13333e-09% change)
linmin: converged after 21 iterations.
iteration 457: trace = 2.653860957776588 (9.93982e-10% change)
large trace change predicted (2.49512e-09%)
linmin: converged after 2 iterations.
iteration 458: trace = 2.65386095771037 (2.49516e-09% change)
linmin: converged after 3 iterations.
iteration 459: trace = 2.653860957609381 (3.80536e-09% change)
linmin: converged after 6 iterations.
iteration 460: trace = 2.653860957587652 (8.18763e-10% change)
large trace change predicted (3.53265e-09%)
linmin: converged after 9 iterations.
iteration 461: trace = 2.653860957493902 (3.53257e-09% change)
linmin: converged after 3 iterations.
iteration 462: trace = 2.653860957453567 (1.51989e-09% change)
linmin: converged after 4 iterations.
iteration 463: trace = 2.653860957425482 (1.05826e-09% change)
linmin: converged after 8 iterations.
iteration 464: trace = 2.653860957392035 (1.26032e-09% change)
linmin: converged after 8 iterations.
iteration 465: trace = 2.653860957373471 (6.99502e-10% change)
linmin: converged after 3 iterations.
iteration 466: trace = 2.653860957355178 (6.89295e-10% change)
linmin: converged after 6 iterations.
iteration 467: trace = 2.653860957335606 (7.37488e-10% change)
linmin: converged after 6 iterations.
iteration 468: trace = 2.653860957330625 (1.87702e-10% change)
large trace change predicted (5.11928e-10%)
linmin: converged after 12 iterations.
iteration 469: trace = 2.65386095731704 (5.11901e-10% change)
linmin: converged after 3 iterations.
iteration 470: trace = 2.653860957302546 (5.46121e-10% change)
linmin: converged after 13 iterations.
iteration 471: trace = 2.653860957299613 (1.10543e-10% change)
large trace change predicted (6.33462e-10%)
linmin: converged after 6 iterations.
iteration 472: trace = 2.6538609572828 (6.33521e-10% change)
linmin: converged after 7 iterations.
iteration 473: trace = 2.653860957267194 (5.88039e-10% change)
linmin: converged after 4 iterations.
iteration 474: trace = 2.653860957254259 (4.87403e-10% change)
linmin: converged after 3 iterations.
iteration 475: trace = 2.653860957244893 (3.52947e-10% change)
large trace change predicted (8.70554e-10%)
linmin: converged after 3 iterations.
iteration 476: trace = 2.653860957221787 (8.70638e-10% change)
linmin: converged after 3 iterations.
iteration 477: trace = 2.653860957203586 (6.85848e-10% change)
linmin: converged after 12 iterations.
iteration 478: trace = 2.653860957193507 (3.79771e-10% change)
large trace change predicted (1.15727e-09%)
linmin: converged after 7 iterations.
iteration 479: trace = 2.653860957162796 (1.15722e-09% change)
linmin: converged after 6 iterations.
iteration 480: trace = 2.653860957152354 (3.93476e-10% change)
large trace change predicted (7.91997e-10%)
linmin: converged after 2 iterations.
iteration 481: trace = 2.653860957131337 (7.91939e-10% change)
linmin: converged after 12 iterations.
iteration 482: trace = 2.653860957105225 (9.83925e-10% change)
linmin: converged after 15 iterations.
iteration 483: trace = 2.653860957096376 (3.33436e-10% change)
large trace change predicted (7.68681e-10%)
linmin: converged after 4 iterations.
iteration 484: trace = 2.653860957075975 (7.68713e-10% change)
linmin: converged after 7 iterations.
iteration 485: trace = 2.653860957061548 (5.43628e-10% change)
linmin: converged after 4 iterations.
iteration 486: trace = 2.653860957054837 (2.52863e-10% change)
linmin: converged after 3 iterations.
iteration 487: trace = 2.653860957047202 (2.87719e-10% change)
linmin: converged after 3 iterations.
iteration 488: trace = 2.653860957042094 (1.92454e-10% change)
linmin: converged after 3 iterations.
iteration 489: trace = 2.653860957037943 (1.5641e-10% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 490: trace = 2.65386095703434 (1.35794e-10% change)
linmin: converged after 6 iterations.
iteration 491: trace = 2.653860957030801 (1.33351e-10% change)
linmin: converged after 3 iterations.
iteration 492: trace = 2.653860957025126 (2.1384e-10% change)
linmin: converged after 3 iterations.
iteration 493: trace = 2.65386095702037 (1.79218e-10% change)
linmin: converged after 9 iterations.
iteration 494: trace = 2.653860957012349 (3.02211e-10% change)
linmin: converged after 3 iterations.
iteration 495: trace = 2.653860957000387 (4.50739e-10% change)
linmin: converged after 3 iterations.
iteration 496: trace = 2.65386095699586 (1.706e-10% change)
large trace change predicted (5.37929e-10%)
linmin: converged after 4 iterations.
iteration 497: trace = 2.653860956981582 (5.38005e-10% change)
linmin: converged after 9 iterations.
iteration 498: trace = 2.65386095696949 (4.55642e-10% change)
linmin: converged after 9 iterations.
iteration 499: trace = 2.653860956964063 (2.04503e-10% change)
large trace change predicted (5.82409e-10%)
linmin: converged after 3 iterations.
iteration 500: trace = 2.653860956948609 (5.82316e-10% change)
linmin: converged after 2 iterations.
iteration 501: trace = 2.653860956942851 (2.16952e-10% change)
linmin: converged after 3 iterations.
iteration 502: trace = 2.653860956932339 (3.96103e-10% change)
linmin: converged after 2 iterations.
iteration 503: trace = 2.653860956920813 (4.34323e-10% change)
linmin: converged after 3 iterations.
iteration 504: trace = 2.653860956917655 (1.18977e-10% change)
large trace change predicted (3.26651e-10%)
linmin: converged after 2 iterations.
iteration 505: trace = 2.653860956908983 (3.26792e-10% change)
linmin: converged after 3 iterations.
iteration 506: trace = 2.653860956902382 (2.48713e-10% change)
linmin: converged after 5 iterations.
iteration 507: trace = 2.653860956900614 (6.66336e-11% change)
Finished solving for bands 1 to 10 after 507 iterations.
tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323
elapsed time for k point: 10.578383445739746
solve_kpoint (0.333333,0.333333,0):
Solving for bands 1 to 10...
linmin: converged after 5 iterations.
iteration 1: trace = 2.767192045163025 (3.67887% change)
linmin: converged after 12 iterations.
iteration 2: trace = 2.669057380357486 (3.61038% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.603626109110742 (2.4819% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.589397560818022 (0.547987% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.564425789247123 (0.969058% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.562271003184409 (0.0840614% change)
large trace change predicted (0.183586%)
linmin: converged after 4 iterations.
iteration 7: trace = 2.557519452644537 (0.185615% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.5533812062184 (0.161938% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.551758159301232 (0.0635848% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.548676145701263 (0.120853% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.547042257271972 (0.0641279% change)
linmin: converged after 5 iterations.
iteration 12: trace = 2.545109407132459 (0.0759149% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.543744874672027 (0.0536283% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.543493569722713 (0.00987982% change)
large trace change predicted (0.032685%)
linmin: converged after 4 iterations.
iteration 15: trace = 2.542654865255261 (0.0329799% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.542233437169567 (0.0165757% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.541989490215497 (0.00959623% change)
large trace change predicted (0.0296917%)
linmin: converged after 4 iterations.
iteration 18: trace = 2.541222886559927 (0.0301622% change)
linmin: converged after 3 iterations.
iteration 19: trace = 2.540916754194661 (0.0120474% change)
linmin: converged after 3 iterations.
iteration 20: trace = 2.540420138084658 (0.0195467% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.540069646846972 (0.0137975% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.53991319211357 (0.00615966% change)
large trace change predicted (0.0132667%)
linmin: converged after 3 iterations.
iteration 23: trace = 2.539574241822349 (0.0133458% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.539320168380693 (0.0100051% change)
linmin: converged after 3 iterations.
iteration 25: trace = 2.539190156451761 (0.00512008% change)
large trace change predicted (0.0109149%)
linmin: converged after 3 iterations.
iteration 26: trace = 2.538912105880391 (0.010951% change)
linmin: converged after 3 iterations.
iteration 27: trace = 2.538826558903819 (0.00336949% change)
large trace change predicted (0.00728293%)
linmin: converged after 5 iterations.
iteration 28: trace = 2.538640922020423 (0.00731218% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.538416115055694 (0.0088558% change)
linmin: converged after 5 iterations.
iteration 30: trace = 2.538329681714421 (0.00340507% change)
large trace change predicted (0.0126404%)
linmin: converged after 4 iterations.
iteration 31: trace = 2.538007652449731 (0.0126875% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.537917254792359 (0.00356182% change)
large trace change predicted (0.0118588%)
linmin: converged after 3 iterations.
iteration 33: trace = 2.537615514542672 (0.01189% change)
linmin: converged after 3 iterations.
iteration 34: trace = 2.53744664420911 (0.00665491% change)
linmin: converged after 4 iterations.
iteration 35: trace = 2.537337487891875 (0.00430191% change)
large trace change predicted (0.0106116%)
linmin: converged after 6 iterations.
iteration 36: trace = 2.537068033653169 (0.0106201% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.53699943464511 (0.00270391% change)
large trace change predicted (0.0111009%)
linmin: converged after 3 iterations.
iteration 38: trace = 2.536717394141688 (0.0111177% change)
linmin: converged after 4 iterations.
iteration 39: trace = 2.536633734665125 (0.003298% change)
linmin: converged after 3 iterations.
iteration 40: trace = 2.536477822463409 (0.00614661% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.536329218818773 (0.00585883% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.53615020102548 (0.00705839% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.535989255703162 (0.00634625% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.535865706424353 (0.00487196% change)
linmin: converged after 3 iterations.
iteration 45: trace = 2.535703192587326 (0.00640882% change)
linmin: converged after 3 iterations.
iteration 46: trace = 2.535652227616092 (0.00200992% change)
large trace change predicted (0.00754028%)
linmin: converged after 3 iterations.
iteration 47: trace = 2.53546107910786 (0.00753872% change)
linmin: converged after 3 iterations.
iteration 48: trace = 2.535421748870608 (0.00155122% change)
large trace change predicted (0.00506183%)
linmin: converged after 3 iterations.
iteration 49: trace = 2.535293468493803 (0.00505966% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.535212823182918 (0.00318096% change)
linmin: converged after 9 iterations.
iteration 51: trace = 2.535125064719677 (0.00346164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 2.5349509031445 (0.00687018% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.534873114315107 (0.0030687% change)
large trace change predicted (0.00863851%)
linmin: converged after 4 iterations.
iteration 54: trace = 2.534655262783688 (0.00859455% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.534598374640847 (0.00224444% change)
large trace change predicted (0.00574966%)
linmin: converged after 4 iterations.
iteration 56: trace = 2.534453143671912 (0.0057301% change)
linmin: converged after 4 iterations.
iteration 57: trace = 2.534390112619761 (0.002487% change)
linmin: converged after 5 iterations.
iteration 58: trace = 2.534330756155766 (0.00234207% change)
linmin: converged after 4 iterations.
iteration 59: trace = 2.534233966213133 (0.00381922% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.534207675681939 (0.00103742% change)
large trace change predicted (0.0030975%)
linmin: converged after 6 iterations.
iteration 61: trace = 2.534129221285733 (0.00309586% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.534095670360006 (0.00132397% change)
large trace change predicted (0.00285535%)
linmin: converged after 4 iterations.
iteration 63: trace = 2.534023378172555 (0.00285282% change)
linmin: converged after 4 iterations.
iteration 64: trace = 2.533958013125194 (0.00257953% change)
linmin: converged after 3 iterations.
iteration 65: trace = 2.533883392389698 (0.00294487% change)
linmin: converged after 4 iterations.
iteration 66: trace = 2.533772608404004 (0.0043722% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.533730667933859 (0.00165527% change)
linmin: converged after 3 iterations.
iteration 68: trace = 2.53365915475089 (0.00282249% change)
linmin: converged after 3 iterations.
iteration 69: trace = 2.533617380418967 (0.00164879% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.533588522803026 (0.001139% change)
linmin: converged after 5 iterations.
iteration 71: trace = 2.533564665548087 (0.000941643% change)
linmin: converged after 6 iterations.
iteration 72: trace = 2.533539618364233 (0.000988619% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.533522906468145 (0.000659629% change)
large trace change predicted (0.00183841%)
linmin: converged after 3 iterations.
iteration 74: trace = 2.533476249005274 (0.00184162% change)
linmin: converged after 5 iterations.
iteration 75: trace = 2.533464174381763 (0.000476604% change)
large trace change predicted (0.00275226%)
linmin: converged after 5 iterations.
iteration 76: trace = 2.533394202119549 (0.00276196% change)
linmin: converged after 10 iterations.
iteration 77: trace = 2.533360209152475 (0.0013418% change)
linmin: converged after 3 iterations.
iteration 78: trace = 2.533332274267103 (0.00110269% change)
large trace change predicted (0.00246268%)
linmin: converged after 4 iterations.
iteration 79: trace = 2.533269609255164 (0.00247365% change)
linmin: converged after 4 iterations.
iteration 80: trace = 2.533217623027478 (0.00205216% change)
linmin: converged after 4 iterations.
iteration 81: trace = 2.533191364656076 (0.00103657% change)
large trace change predicted (0.00237285%)
linmin: converged after 6 iterations.
iteration 82: trace = 2.533131006388617 (0.00238273% change)
linmin: converged after 3 iterations.
iteration 83: trace = 2.533113008962917 (0.000710484% change)
linmin: converged after 3 iterations.
iteration 84: trace = 2.533088875728426 (0.000952715% change)
linmin: converged after 3 iterations.
iteration 85: trace = 2.533060210964731 (0.00113162% change)
linmin: converged after 3 iterations.
iteration 86: trace = 2.533052336070403 (0.000310885% change)
large trace change predicted (0.000754712%)
linmin: converged after 3 iterations.
iteration 87: trace = 2.53303320837675 (0.000755127% change)
linmin: converged after 3 iterations.
iteration 88: trace = 2.533014413116766 (0.000742009% change)
linmin: converged after 4 iterations.
iteration 89: trace = 2.53300139548469 (0.00051392% change)
linmin: converged after 4 iterations.
iteration 90: trace = 2.53297623352843 (0.00099337% change)
linmin: converged after 3 iterations.
iteration 91: trace = 2.532972382311616 (0.000152043% change)
large trace change predicted (0.000749633%)
linmin: converged after 6 iterations.
iteration 92: trace = 2.532953408161689 (0.000749089% change)
linmin: converged after 4 iterations.
iteration 93: trace = 2.532934947778483 (0.000728811% change)
linmin: converged after 4 iterations.
iteration 94: trace = 2.532926920734985 (0.000316907% change)
large trace change predicted (0.00178259%)
linmin: converged after 4 iterations.
iteration 95: trace = 2.532881948782389 (0.00177551% change)
linmin: converged after 4 iterations.
iteration 96: trace = 2.532858314027711 (0.000933121% change)
linmin: converged after 3 iterations.
iteration 97: trace = 2.532819821785889 (0.00151973% change)
linmin: converged after 4 iterations.
iteration 98: trace = 2.532786169467268 (0.00132866% change)
linmin: converged after 7 iterations.
iteration 99: trace = 2.532774323054985 (0.000467724% change)
large trace change predicted (0.00101699%)
linmin: converged after 5 iterations.
iteration 100: trace = 2.532748610017113 (0.00101522% change)
linmin: converged after 10 iterations.
iteration 101: trace = 2.532735591407811 (0.000514012% change)
linmin: converged after 6 iterations.
iteration 102: trace = 2.53272596494108 (0.000380083% change)
linmin: converged after 3 iterations.
iteration 103: trace = 2.532712960913022 (0.000513441% change)
linmin: converged after 3 iterations.
iteration 104: trace = 2.532704595744002 (0.000330285% change)
linmin: converged after 3 iterations.
iteration 105: trace = 2.532697442671518 (0.000282429% change)
large trace change predicted (0.000634618%)
linmin: converged after 3 iterations.
iteration 106: trace = 2.532681377273767 (0.000634322% change)
linmin: converged after 3 iterations.
iteration 107: trace = 2.532678264492637 (0.000122905% change)
large trace change predicted (0.000365881%)
linmin: converged after 3 iterations.
iteration 108: trace = 2.53266899969015 (0.000365811% change)
linmin: converged after 3 iterations.
iteration 109: trace = 2.53266259492811 (0.000252886% change)
linmin: converged after 7 iterations.
iteration 110: trace = 2.532659614140498 (0.000117694% change)
large trace change predicted (0.00048464%)
linmin: converged after 4 iterations.
iteration 111: trace = 2.532647336020611 (0.000484793% change)
linmin: converged after 5 iterations.
iteration 112: trace = 2.532643035903972 (0.000169788% change)
large trace change predicted (0.00119129%)
linmin: converged after 3 iterations.
iteration 113: trace = 2.532612846800416 (0.00119201% change)
linmin: converged after 3 iterations.
iteration 114: trace = 2.532592063234743 (0.000820641% change)
linmin: converged after 3 iterations.
iteration 115: trace = 2.532581469721721 (0.000418288% change)
large trace change predicted (0.00102424%)
linmin: converged after 3 iterations.
iteration 116: trace = 2.532555499922985 (0.00102543% change)
linmin: converged after 6 iterations.
iteration 117: trace = 2.532535056413251 (0.000807232% change)
linmin: converged after 3 iterations.
iteration 118: trace = 2.532524469432566 (0.00041804% change)
large trace change predicted (0.000840288%)
linmin: converged after 3 iterations.
iteration 119: trace = 2.532503184848721 (0.000840453% change)
linmin: converged after 3 iterations.
iteration 120: trace = 2.532499366164758 (0.000150787% change)
large trace change predicted (0.00042853%)
linmin: converged after 4 iterations.
iteration 121: trace = 2.532488511531764 (0.000428614% change)
linmin: converged after 4 iterations.
iteration 122: trace = 2.532482095951782 (0.000253331% change)
linmin: converged after 4 iterations.
iteration 123: trace = 2.532479992867226 (8.30444e-05% change)
large trace change predicted (0.000283731%)
linmin: converged after 3 iterations.
iteration 124: trace = 2.53247280384149 (0.000283873% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.532467484148865 (0.000210059% change)
linmin: converged after 3 iterations.
iteration 126: trace = 2.532465651311215 (7.23736e-05% change)
large trace change predicted (0.000445416%)
linmin: converged after 3 iterations.
iteration 127: trace = 2.532454353763157 (0.00044611% change)
linmin: converged after 3 iterations.
iteration 128: trace = 2.532452272749749 (8.21738e-05% change)
large trace change predicted (0.000327514%)
linmin: converged after 3 iterations.
iteration 129: trace = 2.532443972834015 (0.000327743% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.532434385947424 (0.000378563% change)
linmin: converged after 3 iterations.
iteration 131: trace = 2.53243172126282 (0.000105222% change)
large trace change predicted (0.00050799%)
linmin: converged after 4 iterations.
iteration 132: trace = 2.532418839054643 (0.000508691% change)
linmin: converged after 4 iterations.
iteration 133: trace = 2.532413400841182 (0.000214744% change)
large trace change predicted (0.000485106%)
linmin: converged after 3 iterations.
iteration 134: trace = 2.532401111138083 (0.000485297% change)
linmin: converged after 5 iterations.
iteration 135: trace = 2.532386155966053 (0.000590555% change)
linmin: converged after 4 iterations.
iteration 136: trace = 2.532381543521632 (0.000182138% change)
linmin: converged after 3 iterations.
iteration 137: trace = 2.532372871851896 (0.000342432% change)
linmin: converged after 3 iterations.
iteration 138: trace = 2.532367991177046 (0.000192731% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.532366691649195 (5.13167e-05% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 140: trace = 2.532365682102617 (3.98657e-05% change)
linmin: converged after 3 iterations.
iteration 141: trace = 2.532363841843478 (7.26696e-05% change)
linmin: converged after 3 iterations.
iteration 142: trace = 2.532361033830604 (0.000110885% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.532359827253318 (4.76463e-05% change)
large trace change predicted (0.000180915%)
linmin: converged after 4 iterations.
iteration 144: trace = 2.532355246384728 (0.000180893% change)
linmin: converged after 3 iterations.
iteration 145: trace = 2.532352431420141 (0.00011116% change)
linmin: converged after 3 iterations.
iteration 146: trace = 2.532349386068224 (0.000120258% change)
linmin: converged after 3 iterations.
iteration 147: trace = 2.532343690244271 (0.000224923% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.532342311997953 (5.44257e-05% change)
large trace change predicted (0.000211673%)
linmin: converged after 3 iterations.
iteration 149: trace = 2.532336953495586 (0.000211603% change)
linmin: converged after 3 iterations.
iteration 150: trace = 2.532333398748359 (0.000140374% change)
linmin: converged after 3 iterations.
iteration 151: trace = 2.53233206340305 (5.27318e-05% change)
large trace change predicted (0.000151583%)
linmin: converged after 4 iterations.
iteration 152: trace = 2.532328227235385 (0.000151488% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.532325504192802 (0.000107531% change)
linmin: converged after 9 iterations.
iteration 154: trace = 2.532323601371002 (7.51413e-05% change)
linmin: converged after 10 iterations.
iteration 155: trace = 2.532320459830568 (0.000124058% change)
linmin: converged after 3 iterations.
iteration 156: trace = 2.532319680363335 (3.07808e-05% change)
linmin: converged after 4 iterations.
iteration 157: trace = 2.532318510691772 (4.61897e-05% change)
linmin: converged after 4 iterations.
iteration 158: trace = 2.532316950800764 (6.15993e-05% change)
linmin: converged after 3 iterations.
iteration 159: trace = 2.532316545711181 (1.59968e-05% change)
large trace change predicted (5.19803e-05%)
linmin: converged after 4 iterations.
iteration 160: trace = 2.532315229303383 (5.19843e-05% change)
linmin: converged after 3 iterations.
iteration 161: trace = 2.532314312430767 (3.62069e-05% change)
linmin: converged after 3 iterations.
iteration 162: trace = 2.532313519350129 (3.13184e-05% change)
large trace change predicted (8.52185e-05%)
linmin: converged after 3 iterations.
iteration 163: trace = 2.532311361450239 (8.52146e-05% change)
linmin: converged after 8 iterations.
iteration 164: trace = 2.532309906699845 (5.74475e-05% change)
linmin: converged after 3 iterations.
iteration 165: trace = 2.532308444593908 (5.7738e-05% change)
large trace change predicted (0.000170452%)
linmin: converged after 4 iterations.
iteration 166: trace = 2.532304127446988 (0.000170483% change)
linmin: converged after 4 iterations.
iteration 167: trace = 2.532303102007244 (4.04943e-05% change)
large trace change predicted (0.000115221%)
linmin: converged after 3 iterations.
iteration 168: trace = 2.532300183750544 (0.000115241% change)
linmin: converged after 4 iterations.
iteration 169: trace = 2.532297899414583 (9.0208e-05% change)
linmin: converged after 2 iterations.
iteration 170: trace = 2.532297160907362 (2.91635e-05% change)
large trace change predicted (6.51906e-05%)
linmin: converged after 3 iterations.
iteration 171: trace = 2.532295510443508 (6.51766e-05% change)
linmin: converged after 3 iterations.
iteration 172: trace = 2.532292974814544 (0.000100132% change)
linmin: converged after 4 iterations.
iteration 173: trace = 2.532292310079173 (2.62503e-05% change)
large trace change predicted (8.53907e-05%)
linmin: converged after 4 iterations.
iteration 174: trace = 2.532290147413309 (8.54035e-05% change)
linmin: converged after 3 iterations.
iteration 175: trace = 2.532289313308759 (3.29387e-05% change)
linmin: converged after 4 iterations.
iteration 176: trace = 2.532288395005148 (3.62638e-05% change)
linmin: converged after 4 iterations.
iteration 177: trace = 2.532287611764696 (3.09301e-05% change)
linmin: converged after 3 iterations.
iteration 178: trace = 2.532287300796842 (1.22801e-05% change)
large trace change predicted (3.85796e-05%)
linmin: converged after 4 iterations.
iteration 179: trace = 2.532286323773537 (3.85826e-05% change)
linmin: converged after 5 iterations.
iteration 180: trace = 2.532284993557319 (5.25303e-05% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.532284483095969 (2.01581e-05% change)
large trace change predicted (0.000118579%)
linmin: converged after 3 iterations.
iteration 182: trace = 2.532281477154776 (0.000118705% change)
linmin: converged after 3 iterations.
iteration 183: trace = 2.532278647823394 (0.000111731% change)
linmin: converged after 4 iterations.
iteration 184: trace = 2.532277674018113 (3.84557e-05% change)
large trace change predicted (0.000116096%)
linmin: converged after 5 iterations.
iteration 185: trace = 2.532274728164526 (0.000116332% change)
linmin: converged after 4 iterations.
iteration 186: trace = 2.53227327613244 (5.7341e-05% change)
linmin: converged after 3 iterations.
iteration 187: trace = 2.532271512129673 (6.96609e-05% change)
linmin: converged after 4 iterations.
iteration 188: trace = 2.532268544221009 (0.000117203% change)
linmin: converged after 5 iterations.
iteration 189: trace = 2.532267980604649 (2.22574e-05% change)
large trace change predicted (0.000102166%)
linmin: converged after 3 iterations.
iteration 190: trace = 2.532265393040538 (0.000102184% change)
linmin: converged after 4 iterations.
iteration 191: trace = 2.532264296108059 (4.33182e-05% change)
linmin: converged after 4 iterations.
iteration 192: trace = 2.532263413125831 (3.48693e-05% change)
linmin: converged after 3 iterations.
iteration 193: trace = 2.532262357948994 (4.16693e-05% change)
linmin: converged after 3 iterations.
iteration 194: trace = 2.532261780449685 (2.28057e-05% change)
linmin: converged after 6 iterations.
iteration 195: trace = 2.532260921097122 (3.39362e-05% change)
linmin: converged after 4 iterations.
iteration 196: trace = 2.532259374117901 (6.10908e-05% change)
linmin: converged after 4 iterations.
iteration 197: trace = 2.532259063480756 (1.22672e-05% change)
large trace change predicted (5.51749e-05%)
linmin: converged after 3 iterations.
iteration 198: trace = 2.532257666917385 (5.51509e-05% change)
linmin: converged after 4 iterations.
iteration 199: trace = 2.532256854302601 (3.20905e-05% change)
linmin: converged after 8 iterations.
iteration 200: trace = 2.532256077019117 (3.06953e-05% change)
large trace change predicted (6.61116e-05%)
linmin: converged after 10 iterations.
iteration 201: trace = 2.532254404190157 (6.60608e-05% change)
linmin: converged after 8 iterations.
iteration 202: trace = 2.532253700674978 (2.77822e-05% change)
large trace change predicted (6.65527e-05%)
linmin: converged after 4 iterations.
iteration 203: trace = 2.53225201639963 (6.65129e-05% change)
linmin: converged after 5 iterations.
iteration 204: trace = 2.532249373106495 (0.000104385% change)
linmin: converged after 4 iterations.
iteration 205: trace = 2.532248947067088 (1.68245e-05% change)
large trace change predicted (6.09808e-05%)
linmin: converged after 5 iterations.
iteration 206: trace = 2.532247404156568 (6.09305e-05% change)
linmin: converged after 4 iterations.
iteration 207: trace = 2.532246626059952 (3.07275e-05% change)
linmin: converged after 4 iterations.
iteration 208: trace = 2.532246396263067 (9.07482e-06% change)
large trace change predicted (4.58302e-05%)
linmin: converged after 4 iterations.
iteration 209: trace = 2.532245235961194 (4.58211e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 2.532245059590031 (6.96501e-06% change)
large trace change predicted (1.75892e-05%)
linmin: converged after 3 iterations.
iteration 211: trace = 2.532244614143417 (1.7591e-05% change)
linmin: converged after 3 iterations.
iteration 212: trace = 2.532244332059582 (1.11397e-05% change)
linmin: converged after 3 iterations.
iteration 213: trace = 2.532243961673777 (1.46268e-05% change)
linmin: converged after 3 iterations.
iteration 214: trace = 2.532243393266938 (2.24468e-05% change)
linmin: converged after 6 iterations.
iteration 215: trace = 2.532243012965021 (1.50184e-05% change)
linmin: converged after 3 iterations.
iteration 216: trace = 2.532242407793118 (2.38987e-05% change)
linmin: converged after 4 iterations.
iteration 217: trace = 2.532241470456622 (3.70161e-05% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.532241258807642 (8.35817e-06% change)
large trace change predicted (3.25093e-05%)
linmin: converged after 3 iterations.
iteration 219: trace = 2.532240435246127 (3.2523e-05% change)
linmin: converged after 4 iterations.
iteration 220: trace = 2.532239921315042 (2.02955e-05% change)
linmin: converged after 4 iterations.
iteration 221: trace = 2.532239613290589 (1.21641e-05% change)
large trace change predicted (2.80455e-05%)
linmin: converged after 4 iterations.
iteration 222: trace = 2.532238902788354 (2.80583e-05% change)
linmin: converged after 4 iterations.
iteration 223: trace = 2.532238422859413 (1.89528e-05% change)
linmin: converged after 3 iterations.
iteration 224: trace = 2.532238105502279 (1.25327e-05% change)
linmin: converged after 3 iterations.
iteration 225: trace = 2.532237512758263 (2.34079e-05% change)
linmin: converged after 9 iterations.
iteration 226: trace = 2.532237422475582 (3.56533e-06% change)
large trace change predicted (1.22361e-05%)
linmin: converged after 2 iterations.
iteration 227: trace = 2.532237112625669 (1.22362e-05% change)
linmin: converged after 4 iterations.
iteration 228: trace = 2.532236922691033 (7.50067e-06% change)
linmin: converged after 5 iterations.
iteration 229: trace = 2.53223683133392 (3.60776e-06% change)
large trace change predicted (1.4599e-05%)
linmin: converged after 4 iterations.
iteration 230: trace = 2.5322364616746 (1.45981e-05% change)
linmin: converged after 5 iterations.
iteration 231: trace = 2.532236386820632 (2.95604e-06% change)
large trace change predicted (1.50446e-05%)
linmin: converged after 4 iterations.
iteration 232: trace = 2.532236005902005 (1.50428e-05% change)
linmin: converged after 5 iterations.
iteration 233: trace = 2.532235567443446 (1.73151e-05% change)
linmin: converged after 3 iterations.
iteration 234: trace = 2.532235324936102 (9.57681e-06% change)
linmin: converged after 4 iterations.
iteration 235: trace = 2.532235061093175 (1.04194e-05% change)
large trace change predicted (2.33799e-05%)
linmin: converged after 9 iterations.
iteration 236: trace = 2.532234469416107 (2.33658e-05% change)
linmin: converged after 6 iterations.
iteration 237: trace = 2.532234292981712 (6.96754e-06% change)
large trace change predicted (1.92204e-05%)
linmin: converged after 7 iterations.
iteration 238: trace = 2.532233806503822 (1.92114e-05% change)
linmin: converged after 13 iterations.
iteration 239: trace = 2.532233567780011 (9.4274e-06% change)
linmin: converged after 3 iterations.
iteration 240: trace = 2.532233518761116 (1.9358e-06% change)
large trace change predicted (7.97524e-06%)
linmin: converged after 4 iterations.
iteration 241: trace = 2.532233316834005 (7.97427e-06% change)
linmin: converged after 8 iterations.
iteration 242: trace = 2.53223322602904 (3.58596e-06% change)
linmin: converged after 6 iterations.
iteration 243: trace = 2.532233139352723 (3.42292e-06% change)
linmin: converged after 4 iterations.
iteration 244: trace = 2.532232981391485 (6.23802e-06% change)
linmin: converged after 3 iterations.
iteration 245: trace = 2.532232941782683 (1.56418e-06% change)
large trace change predicted (5.80942e-06%)
linmin: converged after 8 iterations.
iteration 246: trace = 2.532232794675251 (5.8094e-06% change)
linmin: converged after 2 iterations.
iteration 247: trace = 2.532232655634834 (5.49082e-06% change)
linmin: converged after 4 iterations.
iteration 248: trace = 2.53223260224804 (2.10829e-06% change)
large trace change predicted (4.67847e-06%)
linmin: converged after 4 iterations.
iteration 249: trace = 2.532232483784177 (4.67824e-06% change)
linmin: converged after 5 iterations.
iteration 250: trace = 2.532232362957225 (4.77156e-06% change)
linmin: converged after 4 iterations.
iteration 251: trace = 2.532232303957449 (2.32995e-06% change)
large trace change predicted (1.13682e-05%)
linmin: converged after 5 iterations.
iteration 252: trace = 2.5322320160995 (1.13678e-05% change)
linmin: converged after 3 iterations.
iteration 253: trace = 2.532231912547643 (4.08935e-06% change)
large trace change predicted (1.08339e-05%)
linmin: converged after 7 iterations.
iteration 254: trace = 2.532231638229019 (1.08331e-05% change)
linmin: converged after 3 iterations.
iteration 255: trace = 2.532231403565604 (9.26706e-06% change)
linmin: converged after 21 iterations.
iteration 256: trace = 2.532231277094745 (4.99444e-06% change)
linmin: converged after 4 iterations.
iteration 257: trace = 2.532231194338745 (3.26811e-06% change)
linmin: converged after 13 iterations.
iteration 258: trace = 2.532231046316252 (5.84554e-06% change)
linmin: converged after 5 iterations.
iteration 259: trace = 2.532231016811047 (1.16519e-06% change)
large trace change predicted (3.74982e-06%)
linmin: converged after 4 iterations.
iteration 260: trace = 2.532230921855036 (3.7499e-06% change)
linmin: converged after 23 iterations.
iteration 261: trace = 2.532230862689733 (2.33649e-06% change)
linmin: converged after 5 iterations.
iteration 262: trace = 2.53223083873709 (9.45911e-07% change)
large trace change predicted (3.12221e-06%)
linmin: converged after 23 iterations.
iteration 263: trace = 2.532230759671736 (3.12236e-06% change)
linmin: converged after 15 iterations.
iteration 264: trace = 2.532230696501678 (2.49464e-06% change)
linmin: converged after 7 iterations.
iteration 265: trace = 2.532230652826942 (1.72475e-06% change)
large trace change predicted (5.88601e-06%)
linmin: converged after 4 iterations.
iteration 266: trace = 2.532230503763672 (5.88664e-06% change)
linmin: converged after 5 iterations.
iteration 267: trace = 2.532230416800177 (3.43426e-06% change)
linmin: converged after 6 iterations.
iteration 268: trace = 2.532230282776104 (5.29273e-06% change)
linmin: converged after 4 iterations.
iteration 269: trace = 2.532230176448649 (4.19896e-06% change)
linmin: converged after 4 iterations.
iteration 270: trace = 2.532230129390047 (1.85839e-06% change)
large trace change predicted (5.01005e-06%)
linmin: converged after 2 iterations.
iteration 271: trace = 2.532230002519866 (5.01022e-06% change)
linmin: converged after 3 iterations.
iteration 272: trace = 2.532229868163668 (5.30585e-06% change)
linmin: converged after 4 iterations.
iteration 273: trace = 2.532229779225418 (3.51225e-06% change)
linmin: converged after 2 iterations.
iteration 274: trace = 2.532229649583122 (5.11969e-06% change)
linmin: converged after 11 iterations.
iteration 275: trace = 2.532229621422921 (1.11207e-06% change)
large trace change predicted (4.14646e-06%)
linmin: converged after 9 iterations.
iteration 276: trace = 2.532229516420666 (4.14663e-06% change)
linmin: converged after 13 iterations.
iteration 277: trace = 2.53222945506614 (2.42294e-06% change)
linmin: converged after 3 iterations.
iteration 278: trace = 2.53222943390973 (8.35485e-07% change)
large trace change predicted (2.24224e-06%)
linmin: converged after 4 iterations.
iteration 279: trace = 2.532229377130915 (2.24225e-06% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 280: trace = 2.532229338167026 (1.53872e-06% change)
linmin: converged after 16 iterations.
iteration 281: trace = 2.532229324037591 (5.57984e-07% change)
large trace change predicted (1.92946e-06%)
linmin: converged after 3 iterations.
iteration 282: trace = 2.532229275178154 (1.9295e-06% change)
linmin: converged after 4 iterations.
iteration 283: trace = 2.532229224933658 (1.9842e-06% change)
linmin: converged after 27 iterations.
iteration 284: trace = 2.532229195756853 (1.15222e-06% change)
large trace change predicted (3.43235e-06%)
linmin: converged after 8 iterations.
iteration 285: trace = 2.532229108837616 (3.43252e-06% change)
linmin: converged after 8 iterations.
iteration 286: trace = 2.532229070906173 (1.49795e-06% change)
linmin: converged after 15 iterations.
iteration 287: trace = 2.532229005434425 (2.58554e-06% change)
linmin: converged after 4 iterations.
iteration 288: trace = 2.532228912261696 (3.67947e-06% change)
linmin: converged after 4 iterations.
iteration 289: trace = 2.532228878857018 (1.31918e-06% change)
linmin: converged after 4 iterations.
iteration 290: trace = 2.532228814352874 (2.54733e-06% change)
linmin: converged after 11 iterations.
iteration 291: trace = 2.532228759006485 (2.18568e-06% change)
linmin: converged after 4 iterations.
iteration 292: trace = 2.5322287287148 (1.19625e-06% change)
large trace change predicted (2.94799e-06%)
linmin: converged after 4 iterations.
iteration 293: trace = 2.532228654071961 (2.94771e-06% change)
linmin: converged after 4 iterations.
iteration 294: trace = 2.532228630826729 (9.17975e-07% change)
large trace change predicted (2.12091e-06%)
linmin: converged after 3 iterations.
iteration 295: trace = 2.532228577125554 (2.12071e-06% change)
linmin: converged after 10 iterations.
iteration 296: trace = 2.532228551953613 (9.94063e-07% change)
linmin: converged after 5 iterations.
iteration 297: trace = 2.532228539632578 (4.86569e-07% change)
large trace change predicted (1.10488e-06%)
linmin: converged after 4 iterations.
iteration 298: trace = 2.532228511654962 (1.10486e-06% change)
linmin: converged after 7 iterations.
iteration 299: trace = 2.532228480410223 (1.23388e-06% change)
linmin: converged after 3 iterations.
iteration 300: trace = 2.532228471096156 (3.67821e-07% change)
large trace change predicted (1.74133e-06%)
linmin: converged after 4 iterations.
iteration 301: trace = 2.532228427004013 (1.74124e-06% change)
linmin: converged after 7 iterations.
iteration 302: trace = 2.532228385689038 (1.63157e-06% change)
linmin: converged after 4 iterations.
iteration 303: trace = 2.532228360133651 (1.00921e-06% change)
large trace change predicted (2.41428e-06%)
linmin: converged after 7 iterations.
iteration 304: trace = 2.532228299004506 (2.41405e-06% change)
linmin: converged after 3 iterations.
iteration 305: trace = 2.532228261234704 (1.49156e-06% change)
linmin: converged after 3 iterations.
iteration 306: trace = 2.53222820816014 (2.09596e-06% change)
linmin: converged after 13 iterations.
iteration 307: trace = 2.532228137110495 (2.80582e-06% change)
linmin: converged after 6 iterations.
iteration 308: trace = 2.532228114967864 (8.74433e-07% change)
linmin: converged after 12 iterations.
iteration 309: trace = 2.532228086783509 (1.11303e-06% change)
linmin: converged after 22 iterations.
iteration 310: trace = 2.532228061682376 (9.91267e-07% change)
linmin: converged after 18 iterations.
iteration 311: trace = 2.532228031642422 (1.18631e-06% change)
linmin: converged after 12 iterations.
iteration 312: trace = 2.532228022868124 (3.46505e-07% change)
large trace change predicted (1.6377e-06%)
linmin: converged after 2 iterations.
iteration 313: trace = 2.532227981397549 (1.63771e-06% change)
linmin: converged after 7 iterations.
iteration 314: trace = 2.532227972677866 (3.44348e-07% change)
large trace change predicted (1.54265e-06%)
linmin: converged after 9 iterations.
iteration 315: trace = 2.532227933613569 (1.54268e-06% change)
linmin: converged after 6 iterations.
iteration 316: trace = 2.532227901120616 (1.28318e-06% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.532227888180187 (5.11029e-07% change)
large trace change predicted (1.51822e-06%)
linmin: converged after 10 iterations.
iteration 318: trace = 2.532227849732482 (1.51834e-06% change)
linmin: converged after 2 iterations.
iteration 319: trace = 2.532227811599739 (1.5059e-06% change)
linmin: converged after 3 iterations.
iteration 320: trace = 2.532227794595986 (6.71494e-07% change)
large trace change predicted (2.84518e-06%)
linmin: converged after 7 iterations.
iteration 321: trace = 2.532227722540139 (2.84555e-06% change)
linmin: converged after 3 iterations.
iteration 322: trace = 2.532227687567286 (1.38111e-06% change)
linmin: converged after 5 iterations.
iteration 323: trace = 2.532227638964866 (1.91935e-06% change)
linmin: converged after 4 iterations.
iteration 324: trace = 2.532227586592549 (2.06823e-06% change)
linmin: converged after 12 iterations.
iteration 325: trace = 2.53222757240693 (5.60203e-07% change)
linmin: converged after 5 iterations.
iteration 326: trace = 2.532227544172079 (1.11502e-06% change)
linmin: converged after 2 iterations.
iteration 327: trace = 2.532227512219513 (1.26184e-06% change)
linmin: converged after 7 iterations.
iteration 328: trace = 2.532227505887205 (2.50069e-07% change)
large trace change predicted (1.12493e-06%)
linmin: converged after 4 iterations.
iteration 329: trace = 2.53222747740137 (1.12493e-06% change)
linmin: converged after 4 iterations.
iteration 330: trace = 2.532227469121269 (3.26989e-07% change)
large trace change predicted (1.07819e-06%)
linmin: converged after 3 iterations.
iteration 331: trace = 2.532227441820332 (1.07814e-06% change)
linmin: converged after 5 iterations.
iteration 332: trace = 2.532227419392461 (8.85697e-07% change)
linmin: converged after 5 iterations.
iteration 333: trace = 2.532227407145195 (4.83656e-07% change)
large trace change predicted (1.26341e-06%)
linmin: converged after 4 iterations.
iteration 334: trace = 2.532227375155252 (1.26331e-06% change)
linmin: converged after 7 iterations.
iteration 335: trace = 2.532227321498544 (2.11895e-06% change)
linmin: converged after 3 iterations.
iteration 336: trace = 2.53222730016528 (8.4247e-07% change)
large trace change predicted (2.31631e-06%)
linmin: converged after 5 iterations.
iteration 337: trace = 2.53222724152096 (2.31592e-06% change)
linmin: converged after 5 iterations.
iteration 338: trace = 2.532227214136874 (1.08142e-06% change)
linmin: converged after 13 iterations.
iteration 339: trace = 2.532227203806219 (4.07967e-07% change)
large trace change predicted (1.28324e-06%)
linmin: converged after 4 iterations.
iteration 340: trace = 2.532227171313901 (1.28315e-06% change)
linmin: converged after 4 iterations.
iteration 341: trace = 2.53222714214733 (1.15181e-06% change)
linmin: converged after 11 iterations.
iteration 342: trace = 2.532227132986993 (3.6175e-07% change)
large trace change predicted (9.37405e-07%)
linmin: converged after 4 iterations.
iteration 343: trace = 2.532227109250781 (9.37365e-07% change)
linmin: converged after 10 iterations.
iteration 344: trace = 2.53222710170186 (2.98114e-07% change)
large trace change predicted (6.41566e-07%)
linmin: converged after 5 iterations.
iteration 345: trace = 2.53222708545657 (6.41542e-07% change)
linmin: converged after 4 iterations.
iteration 346: trace = 2.532227074749795 (4.2282e-07% change)
linmin: converged after 25 iterations.
iteration 347: trace = 2.532227070120145 (1.82829e-07% change)
linmin: converged after 4 iterations.
iteration 348: trace = 2.532227061347484 (3.46441e-07% change)
large trace change predicted (7.25133e-07%)
linmin: converged after 10 iterations.
iteration 349: trace = 2.532227042985584 (7.25129e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 350: trace = 2.532227032001265 (4.33781e-07% change)
linmin: converged after 4 iterations.
iteration 351: trace = 2.532227021355288 (4.2042e-07% change)
linmin: converged after 4 iterations.
iteration 352: trace = 2.532227018528629 (1.11627e-07% change)
large trace change predicted (3.55816e-07%)
linmin: converged after 5 iterations.
iteration 353: trace = 2.532227009518536 (3.55817e-07% change)
linmin: converged after 3 iterations.
iteration 354: trace = 2.532227000110098 (3.71548e-07% change)
linmin: converged after 16 iterations.
iteration 355: trace = 2.532226996894193 (1.26999e-07% change)
large trace change predicted (6.59201e-07%)
linmin: converged after 4 iterations.
iteration 356: trace = 2.532226980201057 (6.59227e-07% change)
linmin: converged after 12 iterations.
iteration 357: trace = 2.532226970981009 (3.64108e-07% change)
linmin: converged after 4 iterations.
iteration 358: trace = 2.532226956224377 (5.82753e-07% change)
linmin: converged after 10 iterations.
iteration 359: trace = 2.532226940921706 (6.04317e-07% change)
linmin: converged after 32 iterations.
iteration 360: trace = 2.532226934325832 (2.60477e-07% change)
large trace change predicted (5.71701e-07%)
linmin: converged after 5 iterations.
iteration 361: trace = 2.532226919848491 (5.71724e-07% change)
linmin: converged after 6 iterations.
iteration 362: trace = 2.532226899529127 (8.02431e-07% change)
linmin: converged after 16 iterations.
iteration 363: trace = 2.532226894115271 (2.13798e-07% change)
large trace change predicted (6.38737e-07%)
linmin: converged after 5 iterations.
iteration 364: trace = 2.532226877940186 (6.38769e-07% change)
linmin: converged after 5 iterations.
iteration 365: trace = 2.532226862932139 (5.92682e-07% change)
linmin: converged after 7 iterations.
iteration 366: trace = 2.532226859516136 (1.34901e-07% change)
large trace change predicted (2.92625e-07%)
linmin: converged after 14 iterations.
iteration 367: trace = 2.532226852106154 (2.92627e-07% change)
linmin: converged after 2 iterations.
iteration 368: trace = 2.532226845206031 (2.72492e-07% change)
linmin: converged after 4 iterations.
iteration 369: trace = 2.532226842625343 (1.01914e-07% change)
large trace change predicted (3.14336e-07%)
linmin: converged after 4 iterations.
iteration 370: trace = 2.532226834665654 (3.14336e-07% change)
linmin: converged after 4 iterations.
iteration 371: trace = 2.53222683284111 (7.20529e-08% change)
large trace change predicted (2.86443e-07%)
linmin: converged after 8 iterations.
iteration 372: trace = 2.532226825587834 (2.86439e-07% change)
linmin: converged after 11 iterations.
iteration 373: trace = 2.532226819859058 (2.26235e-07% change)
linmin: converged after 5 iterations.
iteration 374: trace = 2.532226817278717 (1.019e-07% change)
large trace change predicted (2.88992e-07%)
linmin: converged after 6 iterations.
iteration 375: trace = 2.532226809961338 (2.8897e-07% change)
linmin: converged after 6 iterations.
iteration 376: trace = 2.53222679694146 (5.14167e-07% change)
linmin: converged after 19 iterations.
iteration 377: trace = 2.532226794085944 (1.12767e-07% change)
large trace change predicted (4.27732e-07%)
linmin: converged after 6 iterations.
iteration 378: trace = 2.532226783255718 (4.27696e-07% change)
linmin: converged after 5 iterations.
iteration 379: trace = 2.532226775828084 (2.93324e-07% change)
linmin: converged after 6 iterations.
iteration 380: trace = 2.532226773880708 (7.69037e-08% change)
large trace change predicted (2.20078e-07%)
linmin: converged after 6 iterations.
iteration 381: trace = 2.532226768308129 (2.20066e-07% change)
linmin: converged after 5 iterations.
iteration 382: trace = 2.532226763443181 (1.92121e-07% change)
linmin: converged after 5 iterations.
iteration 383: trace = 2.532226761972826 (5.80657e-08% change)
large trace change predicted (2.03208e-07%)
linmin: converged after 11 iterations.
iteration 384: trace = 2.532226756827222 (2.03205e-07% change)
linmin: converged after 11 iterations.
iteration 385: trace = 2.532226754726477 (8.29604e-08% change)
linmin: converged after 6 iterations.
iteration 386: trace = 2.532226751171404 (1.40393e-07% change)
linmin: converged after 7 iterations.
iteration 387: trace = 2.532226747795115 (1.33333e-07% change)
linmin: converged after 4 iterations.
iteration 388: trace = 2.532226746356977 (5.67934e-08% change)
linmin: converged after 9 iterations.
iteration 389: trace = 2.532226743561327 (1.10403e-07% change)
linmin: converged after 4 iterations.
iteration 390: trace = 2.532226740212651 (1.32242e-07% change)
linmin: converged after 7 iterations.
iteration 391: trace = 2.532226738455964 (6.93732e-08% change)
linmin: converged after 4 iterations.
iteration 392: trace = 2.532226734979242 (1.37299e-07% change)
linmin: converged after 14 iterations.
iteration 393: trace = 2.532226728569906 (2.53111e-07% change)
linmin: converged after 4 iterations.
iteration 394: trace = 2.532226726927974 (6.48414e-08% change)
large trace change predicted (2.02333e-07%)
linmin: converged after 21 iterations.
iteration 395: trace = 2.532226721804354 (2.02337e-07% change)
linmin: converged after 4 iterations.
iteration 396: trace = 2.532226717861316 (1.55714e-07% change)
linmin: converged after 8 iterations.
iteration 397: trace = 2.532226716535644 (5.2352e-08% change)
large trace change predicted (1.60282e-07%)
linmin: converged after 13 iterations.
iteration 398: trace = 2.532226712476868 (1.60285e-07% change)
linmin: converged after 16 iterations.
iteration 399: trace = 2.532226711430153 (4.13358e-08% change)
linmin: converged after 4 iterations.
iteration 400: trace = 2.532226709548159 (7.43217e-08% change)
linmin: converged after 6 iterations.
iteration 401: trace = 2.532226707623194 (7.60186e-08% change)
linmin: converged after 4 iterations.
iteration 402: trace = 2.53222670718206 (1.74208e-08% change)
large trace change predicted (7.92241e-08%)
linmin: converged after 8 iterations.
iteration 403: trace = 2.532226705175908 (7.92248e-08% change)
linmin: converged after 4 iterations.
iteration 404: trace = 2.53222670431038 (3.41805e-08% change)
linmin: converged after 12 iterations.
iteration 405: trace = 2.532226702841314 (5.80148e-08% change)
linmin: converged after 18 iterations.
iteration 406: trace = 2.532226699971066 (1.13349e-07% change)
linmin: converged after 5 iterations.
iteration 407: trace = 2.532226697493734 (9.78321e-08% change)
linmin: converged after 3 iterations.
iteration 408: trace = 2.532226695648335 (7.28766e-08% change)
linmin: converged after 18 iterations.
iteration 409: trace = 2.532226692201912 (1.36102e-07% change)
linmin: converged after 19 iterations.
iteration 410: trace = 2.53222668985198 (9.2801e-08% change)
linmin: converged after 6 iterations.
iteration 411: trace = 2.532226688485163 (5.39769e-08% change)
large trace change predicted (1.39517e-07%)
linmin: converged after 7 iterations.
iteration 412: trace = 2.53222668495223 (1.39519e-07% change)
linmin: converged after 4 iterations.
iteration 413: trace = 2.532226684026071 (3.65749e-08% change)
large trace change predicted (9.8508e-08%)
linmin: converged after 13 iterations.
iteration 414: trace = 2.532226681531623 (9.85081e-08% change)
linmin: converged after 4 iterations.
iteration 415: trace = 2.532226679072552 (9.7111e-08% change)
linmin: converged after 6 iterations.
iteration 416: trace = 2.532226678266132 (3.18463e-08% change)
large trace change predicted (7.32302e-08%)
linmin: converged after 3 iterations.
iteration 417: trace = 2.532226676411776 (7.32302e-08% change)
linmin: converged after 4 iterations.
iteration 418: trace = 2.532226675930684 (1.89988e-08% change)
linmin: converged after 5 iterations.
iteration 419: trace = 2.532226675114865 (3.22175e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 420: trace = 2.532226674520886 (2.34568e-08% change)
linmin: converged after 5 iterations.
iteration 421: trace = 2.532226674207967 (1.23575e-08% change)
large trace change predicted (5.96327e-08%)
linmin: converged after 25 iterations.
iteration 422: trace = 2.532226672697918 (5.96332e-08% change)
linmin: converged after 4 iterations.
iteration 423: trace = 2.53222667203163 (2.63124e-08% change)
large trace change predicted (6.96583e-08%)
linmin: converged after 4 iterations.
iteration 424: trace = 2.532226670267724 (6.96583e-08% change)
linmin: converged after 6 iterations.
iteration 425: trace = 2.532226668480772 (7.05684e-08% change)
linmin: converged after 4 iterations.
iteration 426: trace = 2.532226667866964 (2.42398e-08% change)
large trace change predicted (8.3148e-08%)
linmin: converged after 4 iterations.
iteration 427: trace = 2.532226665761488 (8.31472e-08% change)
linmin: converged after 4 iterations.
iteration 428: trace = 2.532226664557271 (4.75556e-08% change)
linmin: converged after 5 iterations.
iteration 429: trace = 2.532226663045557 (5.9699e-08% change)
linmin: converged after 4 iterations.
iteration 430: trace = 2.532226661052858 (7.86935e-08% change)
linmin: converged after 4 iterations.
iteration 431: trace = 2.532226659598508 (5.74337e-08% change)
linmin: converged after 4 iterations.
iteration 432: trace = 2.532226658669453 (3.66893e-08% change)
linmin: converged after 24 iterations.
iteration 433: trace = 2.532226657248406 (5.61185e-08% change)
linmin: converged after 14 iterations.
iteration 434: trace = 2.532226656699661 (2.16705e-08% change)
linmin: converged after 2 iterations.
iteration 435: trace = 2.532226655867938 (3.28455e-08% change)
linmin: converged after 5 iterations.
iteration 436: trace = 2.532226655024534 (3.33068e-08% change)
linmin: converged after 19 iterations.
iteration 437: trace = 2.532226654853085 (6.77068e-09% change)
large trace change predicted (3.93645e-08%)
linmin: converged after 4 iterations.
iteration 438: trace = 2.532226653856296 (3.93641e-08% change)
linmin: converged after 4 iterations.
iteration 439: trace = 2.53222665306298 (3.13288e-08% change)
linmin: converged after 21 iterations.
iteration 440: trace = 2.53222665265887 (1.59587e-08% change)
large trace change predicted (3.73354e-08%)
linmin: converged after 19 iterations.
iteration 441: trace = 2.532226651713459 (3.73352e-08% change)
linmin: converged after 6 iterations.
iteration 442: trace = 2.532226650865377 (3.34915e-08% change)
linmin: converged after 4 iterations.
iteration 443: trace = 2.53222664982967 (4.0901e-08% change)
linmin: converged after 4 iterations.
iteration 444: trace = 2.5322266477675 (8.1437e-08% change)
linmin: converged after 20 iterations.
iteration 445: trace = 2.532226646830583 (3.69997e-08% change)
linmin: converged after 6 iterations.
iteration 446: trace = 2.532226645266039 (6.17853e-08% change)
linmin: converged after 4 iterations.
iteration 447: trace = 2.532226643783507 (5.85466e-08% change)
linmin: converged after 6 iterations.
iteration 448: trace = 2.532226643465906 (1.25423e-08% change)
large trace change predicted (3.35446e-08%)
linmin: converged after 5 iterations.
iteration 449: trace = 2.532226642616482 (3.35446e-08% change)
linmin: converged after 5 iterations.
iteration 450: trace = 2.532226641792593 (3.25361e-08% change)
linmin: converged after 15 iterations.
iteration 451: trace = 2.532226640759845 (4.07842e-08% change)
linmin: converged after 14 iterations.
iteration 452: trace = 2.532226640549357 (8.31239e-09% change)
large trace change predicted (4.66452e-08%)
linmin: converged after 4 iterations.
iteration 453: trace = 2.532226639368196 (4.66451e-08% change)
linmin: converged after 18 iterations.
iteration 454: trace = 2.532226639072773 (1.16666e-08% change)
large trace change predicted (3.52873e-08%)
linmin: converged after 4 iterations.
iteration 455: trace = 2.532226638179224 (3.52871e-08% change)
linmin: converged after 5 iterations.
iteration 456: trace = 2.532226637257508 (3.63994e-08% change)
linmin: converged after 13 iterations.
iteration 457: trace = 2.532226636962479 (1.1651e-08% change)
large trace change predicted (5.34515e-08%)
linmin: converged after 4 iterations.
iteration 458: trace = 2.532226635608954 (5.3452e-08% change)
linmin: converged after 4 iterations.
iteration 459: trace = 2.532226634849473 (2.99926e-08% change)
linmin: converged after 10 iterations.
iteration 460: trace = 2.5322266339205 (3.6686e-08% change)
linmin: converged after 7 iterations.
iteration 461: trace = 2.532226632067301 (7.31845e-08% change)
linmin: converged after 4 iterations.
iteration 462: trace = 2.53222663092042 (4.52914e-08% change)
linmin: converged after 7 iterations.
iteration 463: trace = 2.532226630252143 (2.63909e-08% change)
linmin: converged after 4 iterations.
iteration 464: trace = 2.53222662909794 (4.55806e-08% change)
linmin: converged after 4 iterations.
iteration 465: trace = 2.53222662857571 (2.06233e-08% change)
linmin: converged after 4 iterations.
iteration 466: trace = 2.532226628033396 (2.14165e-08% change)
linmin: converged after 18 iterations.
iteration 467: trace = 2.532226627130709 (3.56479e-08% change)
linmin: converged after 3 iterations.
iteration 468: trace = 2.532226626986287 (5.70337e-09% change)
large trace change predicted (2.75595e-08%)
linmin: converged after 12 iterations.
iteration 469: trace = 2.532226626288405 (2.756e-08% change)
linmin: converged after 18 iterations.
iteration 470: trace = 2.532226625924587 (1.43675e-08% change)
linmin: converged after 10 iterations.
iteration 471: trace = 2.532226625614535 (1.22443e-08% change)
large trace change predicted (2.89043e-08%)
linmin: converged after 24 iterations.
iteration 472: trace = 2.532226624882627 (2.89037e-08% change)
linmin: converged after 6 iterations.
iteration 473: trace = 2.532226624645749 (9.3545e-09% change)
large trace change predicted (3.92612e-08%)
linmin: converged after 7 iterations.
iteration 474: trace = 2.53222662365157 (3.92611e-08% change)
linmin: converged after 13 iterations.
iteration 475: trace = 2.532226622203749 (5.71758e-08% change)
linmin: converged after 4 iterations.
iteration 476: trace = 2.532226621786479 (1.64784e-08% change)
large trace change predicted (3.44614e-08%)
linmin: converged after 11 iterations.
iteration 477: trace = 2.532226620913853 (3.44608e-08% change)
linmin: converged after 10 iterations.
iteration 478: trace = 2.532226620129062 (3.09921e-08% change)
linmin: converged after 3 iterations.
iteration 479: trace = 2.532226619389769 (2.91954e-08% change)
linmin: converged after 7 iterations.
iteration 480: trace = 2.532226619121213 (1.06055e-08% change)
large trace change predicted (3.13229e-08%)
linmin: converged after 8 iterations.
iteration 481: trace = 2.532226618328066 (3.13221e-08% change)
linmin: converged after 4 iterations.
iteration 482: trace = 2.532226618071341 (1.01383e-08% change)
large trace change predicted (2.20549e-08%)
linmin: converged after 6 iterations.
iteration 483: trace = 2.532226617512868 (2.20546e-08% change)
linmin: converged after 28 iterations.
iteration 484: trace = 2.532226617158118 (1.40094e-08% change)
linmin: converged after 15 iterations.
iteration 485: trace = 2.532226616990453 (6.62123e-09% change)
linmin: converged after 4 iterations.
iteration 486: trace = 2.532226616740968 (9.85241e-09% change)
linmin: converged after 4 iterations.
iteration 487: trace = 2.532226616452942 (1.13744e-08% change)
linmin: converged after 24 iterations.
iteration 488: trace = 2.532226616350514 (4.04497e-09% change)
large trace change predicted (6.3693e-08%)
linmin: converged after 4 iterations.
iteration 489: trace = 2.532226614737656 (6.36932e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 490: trace = 2.532226614356043 (1.50703e-08% change)
linmin: converged after 8 iterations.
iteration 491: trace = 2.532226613708098 (2.5588e-08% change)
linmin: converged after 12 iterations.
iteration 492: trace = 2.532226613481639 (8.94305e-09% change)
linmin: converged after 18 iterations.
iteration 493: trace = 2.532226613390855 (3.58517e-09% change)
large trace change predicted (1.11045e-08%)
linmin: converged after 4 iterations.
iteration 494: trace = 2.53222661310966 (1.11046e-08% change)
linmin: converged after 9 iterations.
iteration 495: trace = 2.532226612978538 (5.17814e-09% change)
linmin: converged after 19 iterations.
iteration 496: trace = 2.532226612818014 (6.33924e-09% change)
linmin: converged after 10 iterations.
iteration 497: trace = 2.532226612499707 (1.25702e-08% change)
linmin: converged after 15 iterations.
iteration 498: trace = 2.532226612400562 (3.91533e-09% change)
large trace change predicted (7.90845e-09%)
linmin: converged after 8 iterations.
iteration 499: trace = 2.532226612200308 (7.90822e-09% change)
linmin: converged after 4 iterations.
iteration 500: trace = 2.53222661183032 (1.46112e-08% change)
linmin: converged after 28 iterations.
iteration 501: trace = 2.532226611735656 (3.73838e-09% change)
large trace change predicted (1.68449e-08%)
linmin: converged after 8 iterations.
iteration 502: trace = 2.532226611309096 (1.68452e-08% change)
linmin: converged after 7 iterations.
iteration 503: trace = 2.532226611086553 (8.78841e-09% change)
linmin: converged after 5 iterations.
iteration 504: trace = 2.532226610879799 (8.16492e-09% change)
linmin: converged after 4 iterations.
iteration 505: trace = 2.532226610487903 (1.54764e-08% change)
linmin: converged after 4 iterations.
iteration 506: trace = 2.532226610342944 (5.72457e-09% change)
linmin: converged after 7 iterations.
iteration 507: trace = 2.532226610129535 (8.42773e-09% change)
linmin: converged after 4 iterations.
iteration 508: trace = 2.532226609834197 (1.16631e-08% change)
linmin: converged after 4 iterations.
iteration 509: trace = 2.532226609773988 (2.37772e-09% change)
large trace change predicted (8.23506e-09%)
linmin: converged after 4 iterations.
iteration 510: trace = 2.53222660956545 (8.23536e-09% change)
linmin: converged after 4 iterations.
iteration 511: trace = 2.532226609408117 (6.21326e-09% change)
linmin: converged after 4 iterations.
iteration 512: trace = 2.53222660933298 (2.96722e-09% change)
linmin: converged after 2 iterations.
iteration 513: trace = 2.532226609216779 (4.58888e-09% change)
linmin: converged after 10 iterations.
iteration 514: trace = 2.532226609064996 (5.99405e-09% change)
linmin: converged after 4 iterations.
iteration 515: trace = 2.532226609028991 (1.42187e-09% change)
large trace change predicted (7.63343e-09%)
linmin: converged after 4 iterations.
iteration 516: trace = 2.532226608835697 (7.63335e-09% change)
linmin: converged after 5 iterations.
iteration 517: trace = 2.532226608740671 (3.75267e-09% change)
linmin: converged after 5 iterations.
iteration 518: trace = 2.532226608638877 (4.01993e-09% change)
large trace change predicted (9.54797e-09%)
linmin: converged after 4 iterations.
iteration 519: trace = 2.532226608397102 (9.54792e-09% change)
linmin: converged after 4 iterations.
iteration 520: trace = 2.532226608167098 (9.08309e-09% change)
linmin: converged after 4 iterations.
iteration 521: trace = 2.532226608041733 (4.95077e-09% change)
linmin: converged after 5 iterations.
iteration 522: trace = 2.53222660792103 (4.76667e-09% change)
linmin: converged after 4 iterations.
iteration 523: trace = 2.532226607757263 (6.4673e-09% change)
linmin: converged after 5 iterations.
iteration 524: trace = 2.53222660773012 (1.07191e-09% change)
large trace change predicted (5.23063e-09%)
linmin: converged after 13 iterations.
iteration 525: trace = 2.532226607597675 (5.23038e-09% change)
linmin: converged after 4 iterations.
iteration 526: trace = 2.532226607534311 (2.50229e-09% change)
linmin: converged after 2 iterations.
iteration 527: trace = 2.532226607480542 (2.12341e-09% change)
linmin: converged after 4 iterations.
iteration 528: trace = 2.532226607400952 (3.14309e-09% change)
linmin: converged after 4 iterations.
iteration 529: trace = 2.532226607343637 (2.26341e-09% change)
linmin: converged after 3 iterations.
iteration 530: trace = 2.532226607300956 (1.68553e-09% change)
linmin: converged after 15 iterations.
iteration 531: trace = 2.532226607228981 (2.84237e-09% change)
linmin: converged after 3 iterations.
iteration 532: trace = 2.532226607211765 (6.79841e-10% change)
large trace change predicted (3.69043e-09%)
linmin: converged after 15 iterations.
iteration 533: trace = 2.532226607118313 (3.69054e-09% change)
linmin: converged after 5 iterations.
iteration 534: trace = 2.532226607036424 (3.23386e-09% change)
linmin: converged after 4 iterations.
iteration 535: trace = 2.532226606999509 (1.45782e-09% change)
large trace change predicted (5.07904e-09%)
linmin: converged after 2 iterations.
iteration 536: trace = 2.532226606870895 (5.07905e-09% change)
linmin: converged after 8 iterations.
iteration 537: trace = 2.532226606759332 (4.40575e-09% change)
linmin: converged after 9 iterations.
iteration 538: trace = 2.532226606732932 (1.04257e-09% change)
large trace change predicted (3.51654e-09%)
linmin: converged after 24 iterations.
iteration 539: trace = 2.53222660664388 (3.51674e-09% change)
linmin: converged after 5 iterations.
iteration 540: trace = 2.532226606579878 (2.5275e-09% change)
linmin: converged after 4 iterations.
iteration 541: trace = 2.532226606566752 (5.18356e-10% change)
large trace change predicted (1.66753e-09%)
linmin: converged after 4 iterations.
iteration 542: trace = 2.532226606524528 (1.66743e-09% change)
linmin: converged after 24 iterations.
iteration 543: trace = 2.532226606503792 (8.18914e-10% change)
linmin: converged after 9 iterations.
iteration 544: trace = 2.53222660648796 (6.25194e-10% change)
large trace change predicted (1.9985e-09%)
linmin: converged after 17 iterations.
iteration 545: trace = 2.53222660643734 (1.99906e-09% change)
linmin: converged after 2 iterations.
iteration 546: trace = 2.532226606428637 (3.43682e-10% change)
large trace change predicted (1.91697e-09%)
linmin: converged after 4 iterations.
iteration 547: trace = 2.532226606380086 (1.9173e-09% change)
linmin: converged after 4 iterations.
iteration 548: trace = 2.532226606316409 (2.51468e-09% change)
linmin: converged after 22 iterations.
iteration 549: trace = 2.532226606270019 (1.83198e-09% change)
linmin: converged after 4 iterations.
iteration 550: trace = 2.532226606238847 (1.23101e-09% change)
large trace change predicted (3.38359e-09%)
linmin: converged after 11 iterations.
iteration 551: trace = 2.532226606153159 (3.38388e-09% change)
linmin: converged after 21 iterations.
iteration 552: trace = 2.532226606112784 (1.59444e-09% change)
linmin: converged after 8 iterations.
iteration 553: trace = 2.532226606078401 (1.35782e-09% change)
linmin: converged after 17 iterations.
iteration 554: trace = 2.532226606014963 (2.50523e-09% change)
linmin: converged after 5 iterations.
iteration 555: trace = 2.532226605994184 (8.2058e-10% change)
linmin: converged after 22 iterations.
iteration 556: trace = 2.532226605957052 (1.46638e-09% change)
linmin: converged after 5 iterations.
iteration 557: trace = 2.532226605918465 (1.52383e-09% change)
linmin: converged after 18 iterations.
iteration 558: trace = 2.532226605910012 (3.33809e-10% change)
large trace change predicted (1.30843e-09%)
linmin: converged after 2 iterations.
iteration 559: trace = 2.532226605876871 (1.30879e-09% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 560: trace = 2.532226605863193 (5.40155e-10% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.53222660585212 (4.3728e-10% change)
large trace change predicted (1.02576e-09%)
linmin: converged after 4 iterations.
iteration 562: trace = 2.532226605826152 (1.02551e-09% change)
linmin: converged after 14 iterations.
iteration 563: trace = 2.532226605814464 (4.61587e-10% change)
large trace change predicted (9.7626e-10%)
linmin: converged after 10 iterations.
iteration 564: trace = 2.53222660578974 (9.76365e-10% change)
linmin: converged after 5 iterations.
iteration 565: trace = 2.532226605744299 (1.79451e-09% change)
linmin: converged after 11 iterations.
iteration 566: trace = 2.532226605734294 (3.95102e-10% change)
large trace change predicted (2.04494e-09%)
linmin: converged after 2 iterations.
iteration 567: trace = 2.53222660568251 (2.04501e-09% change)
linmin: converged after 12 iterations.
iteration 568: trace = 2.532226605633589 (1.93193e-09% change)
linmin: converged after 15 iterations.
iteration 569: trace = 2.532226605613713 (7.84926e-10% change)
large trace change predicted (1.75747e-09%)
linmin: converged after 9 iterations.
iteration 570: trace = 2.532226605569216 (1.7572e-09% change)
linmin: converged after 4 iterations.
iteration 571: trace = 2.532226605542166 (1.06824e-09% change)
linmin: converged after 18 iterations.
iteration 572: trace = 2.532226605527237 (5.89541e-10% change)
large trace change predicted (1.24834e-09%)
linmin: converged after 8 iterations.
iteration 573: trace = 2.532226605495628 (1.2483e-09% change)
linmin: converged after 4 iterations.
iteration 574: trace = 2.532226605490959 (1.84372e-10% change)
large trace change predicted (1.04917e-09%)
linmin: converged after 5 iterations.
iteration 575: trace = 2.532226605464379 (1.04965e-09% change)
linmin: converged after 9 iterations.
iteration 576: trace = 2.532226605451706 (5.00485e-10% change)
linmin: converged after 15 iterations.
iteration 577: trace = 2.532226605442634 (3.58238e-10% change)
large trace change predicted (8.04118e-10%)
linmin: converged after 4 iterations.
iteration 578: trace = 2.532226605422269 (8.04235e-10% change)
linmin: converged after 16 iterations.
iteration 579: trace = 2.532226605397448 (9.80223e-10% change)
linmin: converged after 14 iterations.
iteration 580: trace = 2.532226605389615 (3.09344e-10% change)
large trace change predicted (1.03181e-09%)
linmin: converged after 5 iterations.
iteration 581: trace = 2.532226605363478 (1.03215e-09% change)
linmin: converged after 19 iterations.
iteration 582: trace = 2.532226605339899 (9.31171e-10% change)
linmin: converged after 9 iterations.
iteration 583: trace = 2.532226605322448 (6.89154e-10% change)
large trace change predicted (1.48305e-09%)
linmin: converged after 4 iterations.
iteration 584: trace = 2.532226605284889 (1.48322e-09% change)
linmin: converged after 9 iterations.
iteration 585: trace = 2.532226605252411 (1.2826e-09% change)
linmin: converged after 4 iterations.
iteration 586: trace = 2.53222660523769 (5.81351e-10% change)
large trace change predicted (1.69467e-09%)
linmin: converged after 10 iterations.
iteration 587: trace = 2.532226605194783 (1.69442e-09% change)
linmin: converged after 3 iterations.
iteration 588: trace = 2.532226605169754 (9.88449e-10% change)
linmin: converged after 9 iterations.
iteration 589: trace = 2.53222660516193 (3.08941e-10% change)
large trace change predicted (8.09546e-10%)
linmin: converged after 3 iterations.
iteration 590: trace = 2.532226605141435 (8.09391e-10% change)
linmin: converged after 4 iterations.
iteration 591: trace = 2.532226605122277 (7.56568e-10% change)
linmin: converged after 4 iterations.
iteration 592: trace = 2.532226605113052 (3.64289e-10% change)
linmin: converged after 3 iterations.
iteration 593: trace = 2.532226605096785 (6.42399e-10% change)
linmin: converged after 11 iterations.
iteration 594: trace = 2.532226605071255 (1.00823e-09% change)
linmin: converged after 15 iterations.
iteration 595: trace = 2.532226605065208 (2.38773e-10% change)
large trace change predicted (1.11555e-09%)
linmin: converged after 4 iterations.
iteration 596: trace = 2.532226605036951 (1.11591e-09% change)
linmin: converged after 4 iterations.
iteration 597: trace = 2.532226605011912 (9.88799e-10% change)
linmin: converged after 4 iterations.
iteration 598: trace = 2.532226604999558 (4.87893e-10% change)
large trace change predicted (1.53438e-09%)
linmin: converged after 5 iterations.
iteration 599: trace = 2.532226604960699 (1.53457e-09% change)
linmin: converged after 6 iterations.
iteration 600: trace = 2.532226604943441 (6.81542e-10% change)
linmin: converged after 4 iterations.
iteration 601: trace = 2.532226604920721 (8.97218e-10% change)
linmin: converged after 2 iterations.
iteration 602: trace = 2.5322266048963 (9.64405e-10% change)
linmin: converged after 4 iterations.
iteration 603: trace = 2.532226604890242 (2.39229e-10% change)
large trace change predicted (1.21565e-09%)
linmin: converged after 8 iterations.
iteration 604: trace = 2.532226604859475 (1.21502e-09% change)
linmin: converged after 4 iterations.
iteration 605: trace = 2.532226604847395 (4.77055e-10% change)
linmin: converged after 15 iterations.
iteration 606: trace = 2.532226604835143 (4.83842e-10% change)
linmin: converged after 7 iterations.
iteration 607: trace = 2.532226604817381 (7.01465e-10% change)
linmin: converged after 15 iterations.
iteration 608: trace = 2.532226604797039 (8.03323e-10% change)
linmin: converged after 3 iterations.
iteration 609: trace = 2.532226604793828 (1.26796e-10% change)
large trace change predicted (5.90518e-10%)
linmin: converged after 8 iterations.
iteration 610: trace = 2.532226604778882 (5.90225e-10% change)
linmin: converged after 12 iterations.
iteration 611: trace = 2.532226604768759 (3.99785e-10% change)
linmin: converged after 2 iterations.
iteration 612: trace = 2.532226604763534 (2.06346e-10% change)
large trace change predicted (6.45542e-10%)
linmin: converged after 4 iterations.
iteration 613: trace = 2.532226604747184 (6.45678e-10% change)
linmin: converged after 15 iterations.
iteration 614: trace = 2.532226604715724 (1.24236e-09% change)
linmin: converged after 11 iterations.
iteration 615: trace = 2.532226604710788 (1.94947e-10% change)
large trace change predicted (1.09362e-09%)
linmin: converged after 4 iterations.
iteration 616: trace = 2.532226604683095 (1.0936e-09% change)
linmin: converged after 25 iterations.
iteration 617: trace = 2.532226604661638 (8.47377e-10% change)
linmin: converged after 5 iterations.
iteration 618: trace = 2.532226604657047 (1.81285e-10% change)
large trace change predicted (6.95973e-10%)
linmin: converged after 4 iterations.
iteration 619: trace = 2.532226604639426 (6.95888e-10% change)
linmin: converged after 17 iterations.
iteration 620: trace = 2.532226604627763 (4.60552e-10% change)
linmin: converged after 9 iterations.
iteration 621: trace = 2.532226604623508 (1.68062e-10% change)
large trace change predicted (5.33152e-10%)
linmin: converged after 6 iterations.
iteration 622: trace = 2.532226604609999 (5.33473e-10% change)
linmin: converged after 6 iterations.
iteration 623: trace = 2.532226604598838 (4.40752e-10% change)
linmin: converged after 9 iterations.
iteration 624: trace = 2.532226604596985 (7.32015e-11% change)
Finished solving for bands 1 to 10 after 624 iterations.
tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154
elapsed time for k point: 21.419224977493286
solve_kpoint (0.166667,0.166667,0):
Solving for bands 1 to 10...
linmin: converged after 6 iterations.
iteration 1: trace = 2.553205790621448 (2.55578% change)
linmin: converged after 6 iterations.
iteration 2: trace = 2.488913238697005 (2.55022% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.465199254755904 (0.957345% change)
linmin: converged after 8 iterations.
iteration 4: trace = 2.460842870020524 (0.176872% change)
large trace change predicted (0.41962%)
linmin: converged after 4 iterations.
iteration 5: trace = 2.450658433528779 (0.414718% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.44793737247712 (0.111096% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.445239313495162 (0.110278% change)
linmin: converged after 3 iterations.
iteration 8: trace = 2.442317503762355 (0.119561% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.441409215710333 (0.0371965% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.439907628170731 (0.0615239% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.43940340313637 (0.0206679% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.438989968456584 (0.0169496% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.438435761904823 (0.0227254% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.438281771534775 (0.00631533% change)
large trace change predicted (0.0151056%)
linmin: converged after 3 iterations.
iteration 15: trace = 2.437911257135296 (0.0151969% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.437756492356261 (0.00634845% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.437475053090656 (0.0115457% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.437033013528584 (0.0181368% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.436850970476376 (0.00747014% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.436522596811718 (0.0134762% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.436395585286843 (0.00521296% change)
large trace change predicted (0.0178791%)
linmin: converged after 4 iterations.
iteration 22: trace = 2.43595471994275 (0.0180966% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.435746502242666 (0.00854805% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.435488727702074 (0.0105835% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.435193433965148 (0.0121254% change)
linmin: converged after 7 iterations.
iteration 26: trace = 2.435111803466801 (0.00335217% change)
large trace change predicted (0.0170019%)
linmin: converged after 4 iterations.
iteration 27: trace = 2.434694804084818 (0.0171259% change)
linmin: converged after 3 iterations.
iteration 28: trace = 2.434620961955467 (0.00303296% change)
large trace change predicted (0.0100121%)
linmin: converged after 3 iterations.
iteration 29: trace = 2.43437688615835 (0.0100257% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.434193209974826 (0.00754539% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.43408129616119 (0.00459768% change)
linmin: converged after 7 iterations.
iteration 32: trace = 2.43391401671721 (0.00687262% change)
linmin: converged after 3 iterations.
iteration 33: trace = 2.433862481255047 (0.00211741% change)
large trace change predicted (0.00703863%)
linmin: converged after 3 iterations.
iteration 34: trace = 2.433691129389797 (0.00704057% change)
linmin: converged after 4 iterations.
iteration 35: trace = 2.433624304194898 (0.00274587% change)
large trace change predicted (0.00707824%)
linmin: converged after 3 iterations.
iteration 36: trace = 2.433451857381121 (0.00708626% change)
linmin: converged after 3 iterations.
iteration 37: trace = 2.433377299996253 (0.0030639% change)
linmin: converged after 4 iterations.
iteration 38: trace = 2.433271894258777 (0.00433176% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.433178234182453 (0.00384922% change)
linmin: converged after 3 iterations.
iteration 40: trace = 2.433135864364515 (0.00174135% change)
large trace change predicted (0.00592597%)
linmin: converged after 3 iterations.
iteration 41: trace = 2.432991500184515 (0.00593343% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.432956063817808 (0.0014565% change)
large trace change predicted (0.0070595%)
linmin: converged after 3 iterations.
iteration 43: trace = 2.432783990955872 (0.00707283% change)
linmin: converged after 4 iterations.
iteration 44: trace = 2.432719839586028 (0.00263699% change)
large trace change predicted (0.00567853%)
linmin: converged after 3 iterations.
iteration 45: trace = 2.432580667128755 (0.00572102% change)
linmin: converged after 3 iterations.
iteration 46: trace = 2.432479336362056 (0.00416565% change)
linmin: converged after 3 iterations.
iteration 47: trace = 2.432285019119929 (0.00798876% change)
linmin: converged after 3 iterations.
iteration 48: trace = 2.432170765713327 (0.00469748% change)
linmin: converged after 3 iterations.
iteration 49: trace = 2.43205259750985 (0.00485867% change)
linmin: converged after 3 iterations.
iteration 50: trace = 2.431877499914179 (0.00719984% change)
linmin: converged after 3 iterations.
iteration 51: trace = 2.431795698368098 (0.00336378% change)
linmin: converged after 5 iterations.
iteration 52: trace = 2.431696362779601 (0.00408495% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.431636735215938 (0.00245213% change)
large trace change predicted (0.00592308%)
linmin: converged after 3 iterations.
iteration 54: trace = 2.431492380695374 (0.00593669% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.431457137418089 (0.00144946% change)
large trace change predicted (0.00664172%)
linmin: converged after 5 iterations.
iteration 56: trace = 2.431295722204049 (0.00663884% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.431257057177065 (0.00159032% change)
large trace change predicted (0.00464771%)
linmin: converged after 4 iterations.
iteration 58: trace = 2.431144068753099 (0.00464743% change)
linmin: converged after 4 iterations.
iteration 59: trace = 2.431090029143752 (0.00222283% change)
linmin: converged after 4 iterations.
iteration 60: trace = 2.431016690053393 (0.00301676% change)
linmin: converged after 3 iterations.
iteration 61: trace = 2.430957035925643 (0.00245391% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.430908601939359 (0.0019924% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.430849617811282 (0.00242645% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.430813232221527 (0.00149684% change)
linmin: converged after 4 iterations.
iteration 65: trace = 2.430743311495022 (0.00287647% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.430720436219301 (0.000941086% change)
large trace change predicted (0.00257259%)
linmin: converged after 3 iterations.
iteration 67: trace = 2.430657818551803 (0.00257613% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.430628246220045 (0.00121665% change)
large trace change predicted (0.00251853%)
linmin: converged after 3 iterations.
iteration 69: trace = 2.43056702477033 (0.00251878% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.430539098081382 (0.00114898% change)
linmin: converged after 3 iterations.
iteration 71: trace = 2.430504606749671 (0.00141909% change)
linmin: converged after 5 iterations.
iteration 72: trace = 2.430479149459877 (0.00104741% change)
linmin: converged after 16 iterations.
iteration 73: trace = 2.430467696999023 (0.000471203% change)
linmin: converged after 3 iterations.
iteration 74: trace = 2.430449159324092 (0.000762723% change)
linmin: converged after 4 iterations.
iteration 75: trace = 2.430430808529334 (0.00075504% change)
linmin: converged after 3 iterations.
iteration 76: trace = 2.430421391604532 (0.00038746% change)
large trace change predicted (0.000998066%)
linmin: converged after 4 iterations.
iteration 77: trace = 2.430397160154567 (0.000997011% change)
linmin: converged after 4 iterations.
iteration 78: trace = 2.430362041417878 (0.00144499% change)
linmin: converged after 5 iterations.
iteration 79: trace = 2.430349773461511 (0.00050478% change)
large trace change predicted (0.00196753%)
linmin: converged after 3 iterations.
iteration 80: trace = 2.430301915585337 (0.0019692% change)
linmin: converged after 3 iterations.
iteration 81: trace = 2.430250372503576 (0.00212087% change)
linmin: converged after 4 iterations.
iteration 82: trace = 2.430232623395246 (0.000730343% change)
large trace change predicted (0.0037629%)
linmin: converged after 4 iterations.
iteration 83: trace = 2.4301412371588 (0.00376046% change)
linmin: converged after 3 iterations.
iteration 84: trace = 2.43010514343224 (0.00148526% change)
linmin: converged after 4 iterations.
iteration 85: trace = 2.430052021784968 (0.00218601% change)
linmin: converged after 3 iterations.
iteration 86: trace = 2.430006083395427 (0.00189045% change)
linmin: converged after 4 iterations.
iteration 87: trace = 2.429964346006139 (0.0017176% change)
linmin: converged after 3 iterations.
iteration 88: trace = 2.429930826247921 (0.00137944% change)
linmin: converged after 11 iterations.
iteration 89: trace = 2.429891868073963 (0.00160328% change)
linmin: converged after 4 iterations.
iteration 90: trace = 2.429864867882209 (0.00111117% change)
linmin: converged after 5 iterations.
iteration 91: trace = 2.42984402391576 (0.000857828% change)
linmin: converged after 3 iterations.
iteration 92: trace = 2.429825103839935 (0.000778657% change)
linmin: converged after 4 iterations.
iteration 93: trace = 2.429820292443241 (0.000198014% change)
linmin: converged after 3 iterations.
iteration 94: trace = 2.429811482297379 (0.000362585% change)
linmin: converged after 14 iterations.
iteration 95: trace = 2.429799286673712 (0.000501918% change)
linmin: converged after 3 iterations.
iteration 96: trace = 2.429796371916487 (0.000119959% change)
large trace change predicted (0.000516904%)
linmin: converged after 3 iterations.
iteration 97: trace = 2.429783813738664 (0.000516842% change)
linmin: converged after 3 iterations.
iteration 98: trace = 2.429779151397187 (0.000191883% change)
large trace change predicted (0.000403624%)
linmin: converged after 3 iterations.
iteration 99: trace = 2.429769350189761 (0.000403379% change)
linmin: converged after 4 iterations.
iteration 100: trace = 2.429751340478064 (0.000741213% change)
linmin: converged after 5 iterations.
iteration 101: trace = 2.429742382082464 (0.000368697% change)
large trace change predicted (0.00142086%)
linmin: converged after 4 iterations.
iteration 102: trace = 2.429707985013141 (0.00141568% change)
linmin: converged after 4 iterations.
iteration 103: trace = 2.429664848526827 (0.00177539% change)
linmin: converged after 5 iterations.
iteration 104: trace = 2.429647100743156 (0.000730465% change)
large trace change predicted (0.00236241%)
linmin: converged after 4 iterations.
iteration 105: trace = 2.429590054218317 (0.00234796% change)
linmin: converged after 4 iterations.
iteration 106: trace = 2.429562480259027 (0.00113493% change)
linmin: converged after 4 iterations.
iteration 107: trace = 2.429535154296641 (0.00112473% change)
linmin: converged after 5 iterations.
iteration 108: trace = 2.429519732903807 (0.000634749% change)
linmin: converged after 4 iterations.
iteration 109: trace = 2.42951219614592 (0.000310216% change)
linmin: converged after 5 iterations.
iteration 110: trace = 2.429498081352979 (0.000580974% change)
linmin: converged after 10 iterations.
iteration 111: trace = 2.429487760929294 (0.000424797% change)
linmin: converged after 3 iterations.
iteration 112: trace = 2.429483243074665 (0.000185959% change)
large trace change predicted (0.000475034%)
linmin: converged after 3 iterations.
iteration 113: trace = 2.429471695092463 (0.000475328% change)
linmin: converged after 3 iterations.
iteration 114: trace = 2.429465138123002 (0.000269893% change)
linmin: converged after 4 iterations.
iteration 115: trace = 2.42945938055594 (0.000236989% change)
large trace change predicted (0.000647843%)
linmin: converged after 4 iterations.
iteration 116: trace = 2.42944361413424 (0.00064897% change)
linmin: converged after 14 iterations.
iteration 117: trace = 2.429438400041199 (0.000214621% change)
large trace change predicted (0.000450964%)
linmin: converged after 3 iterations.
iteration 118: trace = 2.429427430525862 (0.000451526% change)
linmin: converged after 3 iterations.
iteration 119: trace = 2.429413713505623 (0.000564621% change)
linmin: converged after 3 iterations.
iteration 120: trace = 2.4294083390858 (0.000221223% change)
large trace change predicted (0.000901689%)
linmin: converged after 4 iterations.
iteration 121: trace = 2.429386329284622 (0.000905978% change)
linmin: converged after 3 iterations.
iteration 122: trace = 2.429375863255854 (0.00043081% change)
linmin: converged after 4 iterations.
iteration 123: trace = 2.429364826988096 (0.000454285% change)
large trace change predicted (0.00110555%)
linmin: converged after 3 iterations.
iteration 124: trace = 2.429337840515783 (0.00111085% change)
linmin: converged after 4 iterations.
iteration 125: trace = 2.42933410208479 (0.000153887% change)
large trace change predicted (0.00052566%)
linmin: converged after 5 iterations.
iteration 126: trace = 2.429321314845719 (0.000526369% change)
linmin: converged after 5 iterations.
iteration 127: trace = 2.429312599559619 (0.000358755% change)
linmin: converged after 5 iterations.
iteration 128: trace = 2.429307021087118 (0.000229632% change)
linmin: converged after 5 iterations.
iteration 129: trace = 2.42929958575789 (0.000306068% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.429296539788722 (0.000125385% change)
linmin: converged after 4 iterations.
iteration 131: trace = 2.429294305400699 (9.19768e-05% change)
linmin: converged after 3 iterations.
iteration 132: trace = 2.429292122600523 (8.98533e-05% change)
linmin: converged after 4 iterations.
iteration 133: trace = 2.429291314686784 (3.32572e-05% change)
large trace change predicted (0.000157942%)
linmin: converged after 3 iterations.
iteration 134: trace = 2.429287476323366 (0.000158004% change)
linmin: converged after 3 iterations.
iteration 135: trace = 2.42928576979761 (7.0248e-05% change)
linmin: converged after 3 iterations.
iteration 136: trace = 2.429284010270354 (7.24298e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 2.429281362485154 (0.000108995% change)
linmin: converged after 4 iterations.
iteration 138: trace = 2.42927809653981 (0.000134441% change)
linmin: converged after 3 iterations.
iteration 139: trace = 2.429275607822539 (0.000102447% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.429274093062705 (6.23544e-05% change)
linmin: converged after 3 iterations.
iteration 141: trace = 2.429272890958271 (4.94841e-05% change)
linmin: converged after 4 iterations.
iteration 142: trace = 2.429271249541947 (6.75682e-05% change)
linmin: converged after 3 iterations.
iteration 143: trace = 2.429270207995202 (4.28749e-05% change)
linmin: converged after 3 iterations.
iteration 144: trace = 2.429268640513438 (6.45248e-05% change)
linmin: converged after 10 iterations.
iteration 145: trace = 2.429267029976984 (6.62972e-05% change)
linmin: converged after 3 iterations.
iteration 146: trace = 2.42926645766938 (2.35589e-05% change)
large trace change predicted (8.02167e-05%)
linmin: converged after 5 iterations.
iteration 147: trace = 2.429264509693013 (8.01879e-05% change)
linmin: converged after 3 iterations.
iteration 148: trace = 2.429263383610925 (4.63549e-05% change)
linmin: converged after 14 iterations.
iteration 149: trace = 2.429261898029446 (6.11536e-05% change)
linmin: converged after 3 iterations.
iteration 150: trace = 2.429259843228488 (8.45854e-05% change)
linmin: converged after 9 iterations.
iteration 151: trace = 2.429257075160755 (0.000113947% change)
linmin: converged after 3 iterations.
iteration 152: trace = 2.429255780909553 (5.32777e-05% change)
large trace change predicted (0.000132524%)
linmin: converged after 3 iterations.
iteration 153: trace = 2.429252563104281 (0.000132461% change)
linmin: converged after 3 iterations.
iteration 154: trace = 2.42925184933551 (2.93822e-05% change)
large trace change predicted (0.000122656%)
linmin: converged after 4 iterations.
iteration 155: trace = 2.429248872589175 (0.000122538% change)
linmin: converged after 3 iterations.
iteration 156: trace = 2.429246901065232 (8.11578e-05% change)
linmin: converged after 4 iterations.
iteration 157: trace = 2.429245882956419 (4.19105e-05% change)
large trace change predicted (0.000117697%)
linmin: converged after 5 iterations.
iteration 158: trace = 2.429243024087283 (0.000117686% change)
linmin: converged after 13 iterations.
iteration 159: trace = 2.42924113639769 (7.77069e-05% change)
linmin: converged after 3 iterations.
iteration 160: trace = 2.429240366777501 (3.16815e-05% change)
large trace change predicted (9.46388e-05%)
linmin: converged after 5 iterations.
iteration 161: trace = 2.429238068403595 (9.46129e-05% change)
linmin: converged after 3 iterations.
iteration 162: trace = 2.429236539509766 (6.29372e-05% change)
linmin: converged after 3 iterations.
iteration 163: trace = 2.429234987727312 (6.38795e-05% change)
linmin: converged after 3 iterations.
iteration 164: trace = 2.429234256920607 (3.00838e-05% change)
linmin: converged after 3 iterations.
iteration 165: trace = 2.429233883868129 (1.53568e-05% change)
large trace change predicted (3.28506e-05%)
linmin: converged after 4 iterations.
iteration 166: trace = 2.429233085995593 (3.28446e-05% change)
linmin: converged after 4 iterations.
iteration 167: trace = 2.429232295160021 (3.2555e-05% change)
linmin: converged after 3 iterations.
iteration 168: trace = 2.429232102888984 (7.91489e-06% change)
large trace change predicted (2.13645e-05%)
linmin: converged after 3 iterations.
iteration 169: trace = 2.429231583890314 (2.13647e-05% change)
large trace change predicted (4.62072e-05%)
linmin: converged after 4 iterations.
iteration 170: trace = 2.429230460568542 (4.62419e-05% change)
linmin: converged after 3 iterations.
iteration 171: trace = 2.429230047862521 (1.69892e-05% change)
large trace change predicted (4.99371e-05%)
linmin: converged after 5 iterations.
iteration 172: trace = 2.429228834067868 (4.99662e-05% change)
linmin: converged after 5 iterations.
iteration 173: trace = 2.429226577625988 (9.28872e-05% change)
linmin: converged after 3 iterations.
iteration 174: trace = 2.429225448690378 (4.64731e-05% change)
large trace change predicted (0.00015282%)
linmin: converged after 5 iterations.
iteration 175: trace = 2.429221725356604 (0.000153273% change)
linmin: converged after 3 iterations.
iteration 176: trace = 2.429220661944724 (4.37758e-05% change)
large trace change predicted (0.000105601%)
linmin: converged after 5 iterations.
iteration 177: trace = 2.429218091704528 (0.000105805% change)
linmin: converged after 4 iterations.
iteration 178: trace = 2.429216795668937 (5.3352e-05% change)
linmin: converged after 3 iterations.
iteration 179: trace = 2.429216318331167 (1.96499e-05% change)
linmin: converged after 5 iterations.
iteration 180: trace = 2.429215476912975 (3.46374e-05% change)
linmin: converged after 3 iterations.
iteration 181: trace = 2.429214875314416 (2.47651e-05% change)
linmin: converged after 3 iterations.
iteration 182: trace = 2.429214663414664 (8.72297e-06% change)
large trace change predicted (1.81869e-05%)
linmin: converged after 4 iterations.
iteration 183: trace = 2.429214221565788 (1.8189e-05% change)
linmin: converged after 3 iterations.
iteration 184: trace = 2.429213984677035 (9.75166e-06% change)
large trace change predicted (2.09936e-05%)
linmin: converged after 3 iterations.
iteration 185: trace = 2.429213474680934 (2.09943e-05% change)
large trace change predicted (4.56717e-05%)
linmin: converged after 4 iterations.
iteration 186: trace = 2.429212365153615 (4.56744e-05% change)
linmin: converged after 3 iterations.
iteration 187: trace = 2.429212026400968 (1.3945e-05% change)
large trace change predicted (3.94202e-05%)
linmin: converged after 4 iterations.
iteration 188: trace = 2.429211068770147 (3.94215e-05% change)
linmin: converged after 4 iterations.
iteration 189: trace = 2.429209642033 (5.87325e-05% change)
linmin: converged after 3 iterations.
iteration 190: trace = 2.429209301935933 (1.40003e-05% change)
large trace change predicted (9.25361e-05%)
linmin: converged after 3 iterations.
iteration 191: trace = 2.429207054553685 (9.2515e-05% change)
linmin: converged after 3 iterations.
iteration 192: trace = 2.42920549670188 (6.41301e-05% change)
linmin: converged after 3 iterations.
iteration 193: trace = 2.429204819776946 (2.78661e-05% change)
large trace change predicted (8.18913e-05%)
linmin: converged after 4 iterations.
iteration 194: trace = 2.429202831236179 (8.18598e-05% change)
linmin: converged after 3 iterations.
iteration 195: trace = 2.429201138362308 (6.96885e-05% change)
linmin: converged after 3 iterations.
iteration 196: trace = 2.429200323012721 (3.35645e-05% change)
large trace change predicted (8.31709e-05%)
linmin: converged after 4 iterations.
iteration 197: trace = 2.429198303567092 (8.31322e-05% change)
linmin: converged after 4 iterations.
iteration 198: trace = 2.429196805629418 (6.16639e-05% change)
linmin: converged after 4 iterations.
iteration 199: trace = 2.429196182943441 (2.56334e-05% change)
linmin: converged after 3 iterations.
iteration 200: trace = 2.429195215532692 (3.98243e-05% change)
linmin: converged after 3 iterations.
iteration 201: trace = 2.429194990200281 (9.27601e-06% change)
linmin: converged after 4 iterations.
iteration 202: trace = 2.429194618319072 (1.53088e-05% change)
linmin: converged after 4 iterations.
iteration 203: trace = 2.429193914553782 (2.89711e-05% change)
linmin: converged after 3 iterations.
iteration 204: trace = 2.429193731764764 (7.52468e-06% change)
large trace change predicted (2.08477e-05%)
linmin: converged after 3 iterations.
iteration 205: trace = 2.429193225342077 (2.08474e-05% change)
linmin: converged after 4 iterations.
iteration 206: trace = 2.429192572523023 (2.68739e-05% change)
linmin: converged after 4 iterations.
iteration 207: trace = 2.429192202283736 (1.52413e-05% change)
linmin: converged after 3 iterations.
iteration 208: trace = 2.429191604892141 (2.45922e-05% change)
large trace change predicted (7.48501e-05%)
linmin: converged after 4 iterations.
iteration 209: trace = 2.429189786723055 (7.48467e-05% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 210: trace = 2.429189035226658 (3.09361e-05% change)
linmin: converged after 2 iterations.
iteration 211: trace = 2.429188353489596 (2.80644e-05% change)
linmin: converged after 4 iterations.
iteration 212: trace = 2.429188058780088 (1.2132e-05% change)
linmin: converged after 10 iterations.
iteration 213: trace = 2.429187704674257 (1.45771e-05% change)
linmin: converged after 2 iterations.
iteration 214: trace = 2.429187256393432 (1.84539e-05% change)
linmin: converged after 3 iterations.
iteration 215: trace = 2.429187110358006 (6.0117e-06% change)
linmin: converged after 3 iterations.
iteration 216: trace = 2.429186832885372 (1.14224e-05% change)
large trace change predicted (2.48735e-05%)
linmin: converged after 4 iterations.
iteration 217: trace = 2.429186228697037 (2.4872e-05% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.429186061814468 (6.8699e-06% change)
large trace change predicted (2.04016e-05%)
linmin: converged after 3 iterations.
iteration 219: trace = 2.429185566158758 (2.04042e-05% change)
linmin: converged after 2 iterations.
iteration 220: trace = 2.429185198851079 (1.51206e-05% change)
linmin: converged after 11 iterations.
iteration 221: trace = 2.429184968496556 (9.48279e-06% change)
large trace change predicted (2.80155e-05%)
linmin: converged after 4 iterations.
iteration 222: trace = 2.429184287927164 (2.80164e-05% change)
linmin: converged after 4 iterations.
iteration 223: trace = 2.429184089879073 (8.15286e-06% change)
large trace change predicted (2.34384e-05%)
linmin: converged after 3 iterations.
iteration 224: trace = 2.429183520565823 (2.34364e-05% change)
linmin: converged after 3 iterations.
iteration 225: trace = 2.429182938238127 (2.39722e-05% change)
linmin: converged after 2 iterations.
iteration 226: trace = 2.429182756518748 (7.48068e-06% change)
large trace change predicted (2.1841e-05%)
linmin: converged after 3 iterations.
iteration 227: trace = 2.429182226031851 (2.18381e-05% change)
linmin: converged after 3 iterations.
iteration 228: trace = 2.429181596068853 (2.59331e-05% change)
linmin: converged after 3 iterations.
iteration 229: trace = 2.429181332945769 (1.08318e-05% change)
large trace change predicted (2.65155e-05%)
linmin: converged after 4 iterations.
iteration 230: trace = 2.429180688903546 (2.65127e-05% change)
linmin: converged after 4 iterations.
iteration 231: trace = 2.429179901322561 (3.24217e-05% change)
linmin: converged after 3 iterations.
iteration 232: trace = 2.42917968824544 (8.77157e-06% change)
large trace change predicted (1.7545e-05%)
linmin: converged after 3 iterations.
iteration 233: trace = 2.429179262082394 (1.75435e-05% change)
linmin: converged after 2 iterations.
iteration 234: trace = 2.429179059783791 (8.32786e-06% change)
linmin: converged after 3 iterations.
iteration 235: trace = 2.429178948125327 (4.59655e-06% change)
linmin: converged after 4 iterations.
iteration 236: trace = 2.429178815387207 (5.46432e-06% change)
linmin: converged after 3 iterations.
iteration 237: trace = 2.429178685026278 (5.36646e-06% change)
linmin: converged after 5 iterations.
iteration 238: trace = 2.4291786422822 (1.75961e-06% change)
large trace change predicted (6.3228e-06%)
linmin: converged after 3 iterations.
iteration 239: trace = 2.429178488726127 (6.32132e-06% change)
linmin: converged after 3 iterations.
iteration 240: trace = 2.429178226328228 (1.08019e-05% change)
linmin: converged after 3 iterations.
iteration 241: trace = 2.429178098467372 (5.26354e-06% change)
linmin: converged after 5 iterations.
iteration 242: trace = 2.429177845535906 (1.04122e-05% change)
linmin: converged after 4 iterations.
iteration 243: trace = 2.429177340626667 (2.07852e-05% change)
linmin: converged after 4 iterations.
iteration 244: trace = 2.429177176341105 (6.76301e-06% change)
large trace change predicted (2.77559e-05%)
linmin: converged after 5 iterations.
iteration 245: trace = 2.429176502846627 (2.77252e-05% change)
linmin: converged after 4 iterations.
iteration 246: trace = 2.429176238380631 (1.08871e-05% change)
linmin: converged after 6 iterations.
iteration 247: trace = 2.429175986076123 (1.03864e-05% change)
linmin: converged after 7 iterations.
iteration 248: trace = 2.429175577840264 (1.68055e-05% change)
linmin: converged after 13 iterations.
iteration 249: trace = 2.429175408961133 (6.95212e-06% change)
large trace change predicted (1.3957e-05%)
linmin: converged after 7 iterations.
iteration 250: trace = 2.429175069993494 (1.3954e-05% change)
linmin: converged after 4 iterations.
iteration 251: trace = 2.429174761872467 (1.26842e-05% change)
linmin: converged after 3 iterations.
iteration 252: trace = 2.42917466887513 (3.82835e-06% change)
large trace change predicted (1.30762e-05%)
linmin: converged after 3 iterations.
iteration 253: trace = 2.429174351289464 (1.30738e-05% change)
linmin: converged after 4 iterations.
iteration 254: trace = 2.429174170497995 (7.44251e-06% change)
linmin: converged after 5 iterations.
iteration 255: trace = 2.429174050528544 (4.93869e-06% change)
linmin: converged after 3 iterations.
iteration 256: trace = 2.429173939539032 (4.56902e-06% change)
linmin: converged after 4 iterations.
iteration 257: trace = 2.429173810486296 (5.31262e-06% change)
linmin: converged after 2 iterations.
iteration 258: trace = 2.429173757768106 (2.17021e-06% change)
large trace change predicted (7.01507e-06%)
linmin: converged after 3 iterations.
iteration 259: trace = 2.429173587357009 (7.01519e-06% change)
linmin: converged after 36 iterations.
iteration 260: trace = 2.429173545915708 (1.70598e-06% change)
large trace change predicted (1.32787e-05%)
linmin: converged after 5 iterations.
iteration 261: trace = 2.429173223315636 (1.32802e-05% change)
linmin: converged after 4 iterations.
iteration 262: trace = 2.429172942481005 (1.15609e-05% change)
linmin: converged after 3 iterations.
iteration 263: trace = 2.429172792162812 (6.18804e-06% change)
large trace change predicted (2.2294e-05%)
linmin: converged after 5 iterations.
iteration 264: trace = 2.429172250254731 (2.23083e-05% change)
linmin: converged after 3 iterations.
iteration 265: trace = 2.429171719172465 (2.18627e-05% change)
linmin: converged after 3 iterations.
iteration 266: trace = 2.429171518377716 (8.26598e-06% change)
large trace change predicted (2.88089e-05%)
linmin: converged after 3 iterations.
iteration 267: trace = 2.429170817972117 (2.88331e-05% change)
linmin: converged after 3 iterations.
iteration 268: trace = 2.42917067117088 (6.04327e-06% change)
large trace change predicted (1.21646e-05%)
linmin: converged after 3 iterations.
iteration 269: trace = 2.429170375548563 (1.21697e-05% change)
linmin: converged after 4 iterations.
iteration 270: trace = 2.429170141903263 (9.61832e-06% change)
linmin: converged after 5 iterations.
iteration 271: trace = 2.429170003374988 (5.7027e-06% change)
linmin: converged after 4 iterations.
iteration 272: trace = 2.429169922373948 (3.33452e-06% change)
large trace change predicted (9.25322e-06%)
linmin: converged after 3 iterations.
iteration 273: trace = 2.429169697564546 (9.25458e-06% change)
linmin: converged after 2 iterations.
iteration 274: trace = 2.429169652963815 (1.83605e-06% change)
large trace change predicted (9.25293e-06%)
linmin: converged after 4 iterations.
iteration 275: trace = 2.429169428190389 (9.2531e-06% change)
linmin: converged after 3 iterations.
iteration 276: trace = 2.429169269843783 (6.51855e-06% change)
linmin: converged after 3 iterations.
iteration 277: trace = 2.429169210874933 (2.42753e-06% change)
large trace change predicted (7.91894e-06%)
linmin: converged after 3 iterations.
iteration 278: trace = 2.429169018513845 (7.9188e-06% change)
linmin: converged after 3 iterations.
iteration 279: trace = 2.429168919573291 (4.07302e-06% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 280: trace = 2.429168871317946 (1.9865e-06% change)
large trace change predicted (6.03567e-06%)
linmin: converged after 4 iterations.
iteration 281: trace = 2.429168724707311 (6.03542e-06% change)
linmin: converged after 4 iterations.
iteration 282: trace = 2.429168675783422 (2.01402e-06% change)
large trace change predicted (4.60575e-06%)
linmin: converged after 3 iterations.
iteration 283: trace = 2.42916856390598 (4.60559e-06% change)
linmin: converged after 7 iterations.
iteration 284: trace = 2.429168397455134 (6.85217e-06% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.429168351774628 (1.8805e-06% change)
large trace change predicted (3.89849e-06%)
linmin: converged after 4 iterations.
iteration 286: trace = 2.429168257067436 (3.89875e-06% change)
linmin: converged after 3 iterations.
iteration 287: trace = 2.42916808912151 (6.91372e-06% change)
linmin: converged after 29 iterations.
iteration 288: trace = 2.429168054476065 (1.42623e-06% change)
large trace change predicted (7.91204e-06%)
linmin: converged after 7 iterations.
iteration 289: trace = 2.429167862358921 (7.90876e-06% change)
linmin: converged after 10 iterations.
iteration 290: trace = 2.429167719322011 (5.88831e-06% change)
linmin: converged after 4 iterations.
iteration 291: trace = 2.429167544468004 (7.1981e-06% change)
linmin: converged after 3 iterations.
iteration 292: trace = 2.42916731615927 (9.39864e-06% change)
linmin: converged after 4 iterations.
iteration 293: trace = 2.42916720194087 (4.70196e-06% change)
linmin: converged after 4 iterations.
iteration 294: trace = 2.429167017783616 (7.58109e-06% change)
linmin: converged after 4 iterations.
iteration 295: trace = 2.429166747503431 (1.11265e-05% change)
linmin: converged after 3 iterations.
iteration 296: trace = 2.42916668283277 (2.66226e-06% change)
large trace change predicted (6.80606e-06%)
linmin: converged after 4 iterations.
iteration 297: trace = 2.429166517536004 (6.80467e-06% change)
linmin: converged after 3 iterations.
iteration 298: trace = 2.429166300607401 (8.93017e-06% change)
linmin: converged after 3 iterations.
iteration 299: trace = 2.429166261200211 (1.62225e-06% change)
large trace change predicted (4.19602e-06%)
linmin: converged after 3 iterations.
iteration 300: trace = 2.429166159264932 (4.19631e-06% change)
linmin: converged after 5 iterations.
iteration 301: trace = 2.42916607812563 (3.34021e-06% change)
linmin: converged after 3 iterations.
iteration 302: trace = 2.42916604924301 (1.18899e-06% change)
large trace change predicted (4.50338e-06%)
linmin: converged after 5 iterations.
iteration 303: trace = 2.42916593984982 (4.50332e-06% change)
linmin: converged after 3 iterations.
iteration 304: trace = 2.429165910075201 (1.22571e-06% change)
large trace change predicted (2.50423e-06%)
linmin: converged after 8 iterations.
iteration 305: trace = 2.42916584924665 (2.50409e-06% change)
linmin: converged after 4 iterations.
iteration 306: trace = 2.42916580294676 (1.906e-06% change)
linmin: converged after 8 iterations.
iteration 307: trace = 2.42916572913721 (3.03847e-06% change)
linmin: converged after 5 iterations.
iteration 308: trace = 2.429165710655394 (7.6083e-07% change)
large trace change predicted (3.34149e-06%)
linmin: converged after 4 iterations.
iteration 309: trace = 2.429165629472555 (3.34201e-06% change)
linmin: converged after 4 iterations.
iteration 310: trace = 2.429165484534654 (5.96657e-06% change)
linmin: converged after 3 iterations.
iteration 311: trace = 2.429165448799646 (1.47108e-06% change)
large trace change predicted (7.07575e-06%)
linmin: converged after 3 iterations.
iteration 312: trace = 2.429165276853678 (7.0784e-06% change)
linmin: converged after 25 iterations.
iteration 313: trace = 2.429165180315826 (3.97412e-06% change)
linmin: converged after 4 iterations.
iteration 314: trace = 2.429165104352876 (3.12712e-06% change)
linmin: converged after 7 iterations.
iteration 315: trace = 2.429164991533192 (4.64438e-06% change)
linmin: converged after 6 iterations.
iteration 316: trace = 2.42916486536403 (5.19393e-06% change)
linmin: converged after 4 iterations.
iteration 317: trace = 2.429164796374211 (2.84006e-06% change)
large trace change predicted (6.44745e-06%)
linmin: converged after 4 iterations.
iteration 318: trace = 2.429164639704397 (6.44953e-06% change)
linmin: converged after 4 iterations.
iteration 319: trace = 2.429164606546153 (1.36501e-06% change)
large trace change predicted (3.25242e-06%)
linmin: converged after 4 iterations.
iteration 320: trace = 2.429164527531566 (3.25275e-06% change)
linmin: converged after 5 iterations.
iteration 321: trace = 2.429164438660931 (3.65849e-06% change)
linmin: converged after 3 iterations.
iteration 322: trace = 2.429164419398778 (7.92954e-07% change)
large trace change predicted (2.3526e-06%)
linmin: converged after 4 iterations.
iteration 323: trace = 2.429164362247049 (2.35273e-06% change)
linmin: converged after 2 iterations.
iteration 324: trace = 2.429164306062881 (2.3129e-06% change)
linmin: converged after 3 iterations.
iteration 325: trace = 2.429164293306547 (5.25133e-07% change)
large trace change predicted (2.2169e-06%)
linmin: converged after 2 iterations.
iteration 326: trace = 2.4291642394545 (2.2169e-06% change)
linmin: converged after 7 iterations.
iteration 327: trace = 2.429164221111337 (7.55122e-07% change)
linmin: converged after 3 iterations.
iteration 328: trace = 2.429164193894918 (1.1204e-06% change)
linmin: converged after 4 iterations.
iteration 329: trace = 2.429164149591694 (1.82381e-06% change)
linmin: converged after 3 iterations.
iteration 330: trace = 2.429164063698702 (3.53591e-06% change)
linmin: converged after 3 iterations.
iteration 331: trace = 2.429164024759665 (1.60298e-06% change)
large trace change predicted (5.53348e-06%)
linmin: converged after 2 iterations.
iteration 332: trace = 2.429163890342143 (5.53349e-06% change)
linmin: converged after 3 iterations.
iteration 333: trace = 2.429163765920217 (5.12201e-06% change)
linmin: converged after 4 iterations.
iteration 334: trace = 2.429163655993809 (4.52528e-06% change)
linmin: converged after 3 iterations.
iteration 335: trace = 2.429163482734742 (7.13246e-06% change)
linmin: converged after 2 iterations.
iteration 336: trace = 2.429163405761019 (3.16873e-06% change)
linmin: converged after 15 iterations.
iteration 337: trace = 2.429163327456446 (3.22352e-06% change)
linmin: converged after 6 iterations.
iteration 338: trace = 2.429163226055506 (4.17432e-06% change)
linmin: converged after 3 iterations.
iteration 339: trace = 2.429163204380151 (8.92297e-07% change)
large trace change predicted (3.49725e-06%)
linmin: converged after 5 iterations.
iteration 340: trace = 2.429163119431029 (3.49705e-06% change)
linmin: converged after 20 iterations.
iteration 341: trace = 2.429163077721464 (1.71703e-06% change)
linmin: converged after 22 iterations.
iteration 342: trace = 2.429163045872508 (1.31111e-06% change)
linmin: converged after 5 iterations.
iteration 343: trace = 2.429162992538449 (2.19557e-06% change)
linmin: converged after 6 iterations.
iteration 344: trace = 2.429162965495263 (1.11327e-06% change)
linmin: converged after 5 iterations.
iteration 345: trace = 2.429162913274279 (2.14975e-06% change)
linmin: converged after 2 iterations.
iteration 346: trace = 2.429162863235207 (2.05993e-06% change)
linmin: converged after 3 iterations.
iteration 347: trace = 2.4291628456336 (7.24596e-07% change)
large trace change predicted (1.77847e-06%)
linmin: converged after 2 iterations.
iteration 348: trace = 2.429162802430328 (1.77853e-06% change)
linmin: converged after 3 iterations.
iteration 349: trace = 2.429162739935152 (2.5727e-06% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 350: trace = 2.42916270053176 (1.6221e-06% change)
linmin: converged after 9 iterations.
iteration 351: trace = 2.429162686618872 (5.72744e-07% change)
large trace change predicted (1.60545e-06%)
linmin: converged after 11 iterations.
iteration 352: trace = 2.429162647620967 (1.60541e-06% change)
linmin: converged after 2 iterations.
iteration 353: trace = 2.429162612939828 (1.4277e-06% change)
linmin: converged after 17 iterations.
iteration 354: trace = 2.429162598742549 (5.84452e-07% change)
large trace change predicted (2.42484e-06%)
linmin: converged after 3 iterations.
iteration 355: trace = 2.4291625398385 (2.42487e-06% change)
linmin: converged after 10 iterations.
iteration 356: trace = 2.4291625158628 (9.86994e-07% change)
large trace change predicted (1.99257e-06%)
linmin: converged after 3 iterations.
iteration 357: trace = 2.429162467451931 (1.9929e-06% change)
linmin: converged after 3 iterations.
iteration 358: trace = 2.429162425156038 (1.74117e-06% change)
linmin: converged after 8 iterations.
iteration 359: trace = 2.42916241150935 (5.61786e-07% change)
large trace change predicted (2.05754e-06%)
linmin: converged after 2 iterations.
iteration 360: trace = 2.429162361526912 (2.0576e-06% change)
linmin: converged after 3 iterations.
iteration 361: trace = 2.429162305005736 (2.32678e-06% change)
linmin: converged after 21 iterations.
iteration 362: trace = 2.429162289033123 (6.57536e-07% change)
large trace change predicted (2.59992e-06%)
linmin: converged after 2 iterations.
iteration 363: trace = 2.429162225874592 (2.60001e-06% change)
linmin: converged after 8 iterations.
iteration 364: trace = 2.42916215213349 (3.03566e-06% change)
linmin: converged after 6 iterations.
iteration 365: trace = 2.429162114735383 (1.53955e-06% change)
large trace change predicted (4.12664e-06%)
linmin: converged after 5 iterations.
iteration 366: trace = 2.429162014485762 (4.12692e-06% change)
linmin: converged after 3 iterations.
iteration 367: trace = 2.429161937969076 (3.14992e-06% change)
linmin: converged after 3 iterations.
iteration 368: trace = 2.429161921258092 (6.87932e-07% change)
large trace change predicted (2.36695e-06%)
linmin: converged after 3 iterations.
iteration 369: trace = 2.429161863759391 (2.36702e-06% change)
linmin: converged after 11 iterations.
iteration 370: trace = 2.429161849976834 (5.67379e-07% change)
linmin: converged after 3 iterations.
iteration 371: trace = 2.429161834118966 (6.52812e-07% change)
linmin: converged after 21 iterations.
iteration 372: trace = 2.429161820346843 (5.6695e-07% change)
linmin: converged after 8 iterations.
iteration 373: trace = 2.429161810521062 (4.04493e-07% change)
linmin: converged after 9 iterations.
iteration 374: trace = 2.42916179531213 (6.26098e-07% change)
linmin: converged after 20 iterations.
iteration 375: trace = 2.429161771423542 (9.83409e-07% change)
linmin: converged after 13 iterations.
iteration 376: trace = 2.429161763830456 (3.1258e-07% change)
large trace change predicted (9.95475e-07%)
linmin: converged after 3 iterations.
iteration 377: trace = 2.429161739650788 (9.95391e-07% change)
linmin: converged after 4 iterations.
iteration 378: trace = 2.429161704218765 (1.45861e-06% change)
linmin: converged after 14 iterations.
iteration 379: trace = 2.429161693347212 (4.47543e-07% change)
large trace change predicted (1.20818e-06%)
linmin: converged after 3 iterations.
iteration 380: trace = 2.429161664000104 (1.20812e-06% change)
linmin: converged after 3 iterations.
iteration 381: trace = 2.429161611934315 (2.14336e-06% change)
linmin: converged after 10 iterations.
iteration 382: trace = 2.429161601574118 (4.26493e-07% change)
large trace change predicted (2.10697e-06%)
linmin: converged after 8 iterations.
iteration 383: trace = 2.429161550399598 (2.10667e-06% change)
linmin: converged after 17 iterations.
iteration 384: trace = 2.429161522993279 (1.12822e-06% change)
linmin: converged after 10 iterations.
iteration 385: trace = 2.429161500564571 (9.23311e-07% change)
linmin: converged after 7 iterations.
iteration 386: trace = 2.429161456703279 (1.80561e-06% change)
linmin: converged after 6 iterations.
iteration 387: trace = 2.429161415467751 (1.69752e-06% change)
linmin: converged after 16 iterations.
iteration 388: trace = 2.429161393304343 (9.12389e-07% change)
large trace change predicted (1.89859e-06%)
linmin: converged after 4 iterations.
iteration 389: trace = 2.429161347186578 (1.89851e-06% change)
linmin: converged after 7 iterations.
iteration 390: trace = 2.429161324950827 (9.15367e-07% change)
linmin: converged after 4 iterations.
iteration 391: trace = 2.429161317015616 (3.26665e-07% change)
large trace change predicted (8.59745e-07%)
linmin: converged after 4 iterations.
iteration 392: trace = 2.429161296131448 (8.59728e-07% change)
linmin: converged after 2 iterations.
iteration 393: trace = 2.429161291181173 (2.03785e-07% change)
large trace change predicted (5.29641e-07%)
linmin: converged after 5 iterations.
iteration 394: trace = 2.429161278315192 (5.29647e-07% change)
linmin: converged after 4 iterations.
iteration 395: trace = 2.429161265356961 (5.33445e-07% change)
linmin: converged after 4 iterations.
iteration 396: trace = 2.429161261869211 (1.43578e-07% change)
large trace change predicted (8.36476e-07%)
linmin: converged after 2 iterations.
iteration 397: trace = 2.429161241549844 (8.36477e-07% change)
linmin: converged after 15 iterations.
iteration 398: trace = 2.429161218388045 (9.5349e-07% change)
linmin: converged after 4 iterations.
iteration 399: trace = 2.429161210937119 (3.06728e-07% change)
large trace change predicted (8.14179e-07%)
linmin: converged after 3 iterations.
iteration 400: trace = 2.429161191159865 (8.1416e-07% change)
linmin: converged after 10 iterations.
iteration 401: trace = 2.42916115839568 (1.34879e-06% change)
linmin: converged after 10 iterations.
iteration 402: trace = 2.429161140878337 (7.21127e-07% change)
large trace change predicted (1.49051e-06%)
linmin: converged after 20 iterations.
iteration 403: trace = 2.429161104667986 (1.49065e-06% change)
linmin: converged after 11 iterations.
iteration 404: trace = 2.429161083170334 (8.84983e-07% change)
linmin: converged after 3 iterations.
iteration 405: trace = 2.429161048270787 (1.43669e-06% change)
linmin: converged after 9 iterations.
iteration 406: trace = 2.42916099920414 (2.0199e-06% change)
linmin: converged after 4 iterations.
iteration 407: trace = 2.429160982945467 (6.69312e-07% change)
linmin: converged after 4 iterations.
iteration 408: trace = 2.429160959714191 (9.5635e-07% change)
linmin: converged after 3 iterations.
iteration 409: trace = 2.429160920962948 (1.59525e-06% change)
linmin: converged after 3 iterations.
iteration 410: trace = 2.429160911946585 (3.71172e-07% change)
large trace change predicted (9.33439e-07%)
linmin: converged after 15 iterations.
iteration 411: trace = 2.429160889269008 (9.33556e-07% change)
linmin: converged after 4 iterations.
iteration 412: trace = 2.429160866943898 (9.19046e-07% change)
linmin: converged after 6 iterations.
iteration 413: trace = 2.4291608614916 (2.24452e-07% change)
large trace change predicted (5.07435e-07%)
linmin: converged after 20 iterations.
iteration 414: trace = 2.429160849164178 (5.07477e-07% change)
linmin: converged after 7 iterations.
iteration 415: trace = 2.42916083216274 (6.99889e-07% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.429160826769361 (2.22026e-07% change)
large trace change predicted (4.99169e-07%)
linmin: converged after 23 iterations.
iteration 417: trace = 2.429160814643395 (4.99183e-07% change)
linmin: converged after 4 iterations.
iteration 418: trace = 2.429160802418464 (5.03257e-07% change)
linmin: converged after 5 iterations.
iteration 419: trace = 2.429160796221078 (2.55125e-07% change)
resetting CG direction...
linmin: converged after 17 iterations.
iteration 420: trace = 2.429160790346842 (2.41822e-07% change)
linmin: converged after 2 iterations.
iteration 421: trace = 2.429160779915612 (4.29417e-07% change)
linmin: converged after 3 iterations.
iteration 422: trace = 2.429160768544104 (4.68125e-07% change)
linmin: converged after 3 iterations.
iteration 423: trace = 2.42916076367561 (2.00419e-07% change)
large trace change predicted (5.93356e-07%)
linmin: converged after 23 iterations.
iteration 424: trace = 2.429160749262659 (5.9333e-07% change)
linmin: converged after 3 iterations.
iteration 425: trace = 2.429160738203669 (4.5526e-07% change)
linmin: converged after 16 iterations.
iteration 426: trace = 2.429160734104865 (1.68733e-07% change)
large trace change predicted (7.28314e-07%)
linmin: converged after 4 iterations.
iteration 427: trace = 2.429160716414508 (7.2825e-07% change)
linmin: converged after 3 iterations.
iteration 428: trace = 2.429160706502238 (4.08053e-07% change)
linmin: converged after 14 iterations.
iteration 429: trace = 2.429160692077318 (5.93823e-07% change)
linmin: converged after 4 iterations.
iteration 430: trace = 2.429160667097955 (1.02831e-06% change)
linmin: converged after 3 iterations.
iteration 431: trace = 2.429160655367485 (4.82902e-07% change)
linmin: converged after 6 iterations.
iteration 432: trace = 2.429160640748588 (6.01809e-07% change)
large trace change predicted (1.2155e-06%)
linmin: converged after 8 iterations.
iteration 433: trace = 2.429160611227006 (1.2153e-06% change)
linmin: converged after 11 iterations.
iteration 434: trace = 2.429160602749563 (3.48987e-07% change)
large trace change predicted (1.02435e-06%)
linmin: converged after 3 iterations.
iteration 435: trace = 2.429160577870109 (1.0242e-06% change)
linmin: converged after 9 iterations.
iteration 436: trace = 2.429160558905898 (7.8069e-07% change)
linmin: converged after 9 iterations.
iteration 437: trace = 2.429160552631934 (2.58277e-07% change)
large trace change predicted (7.65455e-07%)
linmin: converged after 8 iterations.
iteration 438: trace = 2.429160534039245 (7.65396e-07% change)
linmin: converged after 7 iterations.
iteration 439: trace = 2.429160523677099 (4.26573e-07% change)
linmin: converged after 5 iterations.
iteration 440: trace = 2.42916051975533 (1.61445e-07% change)
large trace change predicted (4.48006e-07%)
linmin: converged after 5 iterations.
iteration 441: trace = 2.429160508872857 (4.47993e-07% change)
linmin: converged after 6 iterations.
iteration 442: trace = 2.429160499818887 (3.7272e-07% change)
linmin: converged after 20 iterations.
iteration 443: trace = 2.429160497920686 (7.81423e-08% change)
large trace change predicted (1.8902e-07%)
linmin: converged after 3 iterations.
iteration 444: trace = 2.429160493329062 (1.89021e-07% change)
linmin: converged after 3 iterations.
iteration 445: trace = 2.429160488293158 (2.0731e-07% change)
linmin: converged after 15 iterations.
iteration 446: trace = 2.429160484353091 (1.62199e-07% change)
large trace change predicted (3.93662e-07%)
linmin: converged after 5 iterations.
iteration 447: trace = 2.429160474790068 (3.93676e-07% change)
linmin: converged after 11 iterations.
iteration 448: trace = 2.429160471580279 (1.32136e-07% change)
large trace change predicted (3.37821e-07%)
linmin: converged after 9 iterations.
iteration 449: trace = 2.429160463373595 (3.3784e-07% change)
large trace change predicted (7.50168e-07%)
linmin: converged after 4 iterations.
iteration 450: trace = 2.429160445149095 (7.50239e-07% change)
linmin: converged after 8 iterations.
iteration 451: trace = 2.429160430415562 (6.06528e-07% change)
linmin: converged after 4 iterations.
iteration 452: trace = 2.429160418995421 (4.70127e-07% change)
linmin: converged after 7 iterations.
iteration 453: trace = 2.429160408187375 (4.44929e-07% change)
linmin: converged after 6 iterations.
iteration 454: trace = 2.429160392174707 (6.59185e-07% change)
linmin: converged after 14 iterations.
iteration 455: trace = 2.429160389306145 (1.18089e-07% change)
large trace change predicted (7.13829e-07%)
linmin: converged after 5 iterations.
iteration 456: trace = 2.429160371964514 (7.13894e-07% change)
linmin: converged after 7 iterations.
iteration 457: trace = 2.429160366450214 (2.27004e-07% change)
linmin: converged after 11 iterations.
iteration 458: trace = 2.429160358240431 (3.37968e-07% change)
linmin: converged after 7 iterations.
iteration 459: trace = 2.429160347465205 (4.43578e-07% change)
linmin: converged after 4 iterations.
iteration 460: trace = 2.429160344197699 (1.34512e-07% change)
large trace change predicted (3.7424e-07%)
linmin: converged after 5 iterations.
iteration 461: trace = 2.429160335106463 (3.74254e-07% change)
linmin: converged after 6 iterations.
iteration 462: trace = 2.429160328738462 (2.62148e-07% change)
linmin: converged after 6 iterations.
iteration 463: trace = 2.429160326096865 (1.08745e-07% change)
large trace change predicted (2.29086e-07%)
linmin: converged after 13 iterations.
iteration 464: trace = 2.42916032053192 (2.29089e-07% change)
linmin: converged after 4 iterations.
iteration 465: trace = 2.429160316560381 (1.63494e-07% change)
linmin: converged after 4 iterations.
iteration 466: trace = 2.429160314743921 (7.47773e-08% change)
linmin: converged after 4 iterations.
iteration 467: trace = 2.429160311749455 (1.23272e-07% change)
linmin: converged after 3 iterations.
iteration 468: trace = 2.429160306253959 (2.2623e-07% change)
linmin: converged after 4 iterations.
iteration 469: trace = 2.429160304081518 (8.94318e-08% change)
large trace change predicted (5.13348e-07%)
linmin: converged after 5 iterations.
iteration 470: trace = 2.429160291611896 (5.13331e-07% change)
linmin: converged after 3 iterations.
iteration 471: trace = 2.429160283833624 (3.20204e-07% change)
linmin: converged after 16 iterations.
iteration 472: trace = 2.429160275131582 (3.58233e-07% change)
linmin: converged after 16 iterations.
iteration 473: trace = 2.429160259073368 (6.6106e-07% change)
linmin: converged after 4 iterations.
iteration 474: trace = 2.429160247142288 (4.91161e-07% change)
linmin: converged after 6 iterations.
iteration 475: trace = 2.429160239085526 (3.31669e-07% change)
linmin: converged after 7 iterations.
iteration 476: trace = 2.42916022558022 (5.55966e-07% change)
linmin: converged after 8 iterations.
iteration 477: trace = 2.429160222701592 (1.18503e-07% change)
large trace change predicted (4.17295e-07%)
linmin: converged after 5 iterations.
iteration 478: trace = 2.429160212565087 (4.17284e-07% change)
linmin: converged after 5 iterations.
iteration 479: trace = 2.429160204034741 (3.51164e-07% change)
linmin: converged after 4 iterations.
iteration 480: trace = 2.429160202211879 (7.50408e-08% change)
large trace change predicted (2.07523e-07%)
linmin: converged after 13 iterations.
iteration 481: trace = 2.429160197170912 (2.07519e-07% change)
linmin: converged after 8 iterations.
iteration 482: trace = 2.429160189434346 (3.18487e-07% change)
linmin: converged after 3 iterations.
iteration 483: trace = 2.429160186781246 (1.09219e-07% change)
linmin: converged after 10 iterations.
iteration 484: trace = 2.429160182012993 (1.96292e-07% change)
linmin: converged after 6 iterations.
iteration 485: trace = 2.429160177176469 (1.99103e-07% change)
linmin: converged after 3 iterations.
iteration 486: trace = 2.429160174959482 (9.12656e-08% change)
linmin: converged after 4 iterations.
iteration 487: trace = 2.429160171172834 (1.55883e-07% change)
linmin: converged after 4 iterations.
iteration 488: trace = 2.429160166507869 (1.9204e-07% change)
linmin: converged after 9 iterations.
iteration 489: trace = 2.429160160202792 (2.59558e-07% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 490: trace = 2.429160155170272 (2.07171e-07% change)
linmin: converged after 7 iterations.
iteration 491: trace = 2.429160151571659 (1.48142e-07% change)
linmin: converged after 5 iterations.
iteration 492: trace = 2.429160149556282 (8.2966e-08% change)
linmin: converged after 10 iterations.
iteration 493: trace = 2.429160146780887 (1.14253e-07% change)
linmin: converged after 2 iterations.
iteration 494: trace = 2.429160142508357 (1.75885e-07% change)
linmin: converged after 6 iterations.
iteration 495: trace = 2.429160139973566 (1.04348e-07% change)
linmin: converged after 7 iterations.
iteration 496: trace = 2.429160135710989 (1.75475e-07% change)
linmin: converged after 2 iterations.
iteration 497: trace = 2.429160129290891 (2.64293e-07% change)
linmin: converged after 21 iterations.
iteration 498: trace = 2.429160127146059 (8.82952e-08% change)
linmin: converged after 3 iterations.
iteration 499: trace = 2.429160123941492 (1.31921e-07% change)
linmin: converged after 15 iterations.
iteration 500: trace = 2.429160119289382 (1.91511e-07% change)
linmin: converged after 10 iterations.
iteration 501: trace = 2.429160117349411 (7.98618e-08% change)
large trace change predicted (2.72437e-07%)
linmin: converged after 15 iterations.
iteration 502: trace = 2.429160110731423 (2.72439e-07% change)
linmin: converged after 18 iterations.
iteration 503: trace = 2.429160106797444 (1.61948e-07% change)
linmin: converged after 14 iterations.
iteration 504: trace = 2.429160100888619 (2.43246e-07% change)
linmin: converged after 3 iterations.
iteration 505: trace = 2.429160090558906 (4.25238e-07% change)
linmin: converged after 2 iterations.
iteration 506: trace = 2.429160086442407 (1.69462e-07% change)
linmin: converged after 14 iterations.
iteration 507: trace = 2.429160080154664 (2.58844e-07% change)
linmin: converged after 3 iterations.
iteration 508: trace = 2.429160072676628 (3.07845e-07% change)
linmin: converged after 14 iterations.
iteration 509: trace = 2.429160069911462 (1.13832e-07% change)
linmin: converged after 13 iterations.
iteration 510: trace = 2.429160066042389 (1.59276e-07% change)
linmin: converged after 8 iterations.
iteration 511: trace = 2.429160062995054 (1.25448e-07% change)
linmin: converged after 6 iterations.
iteration 512: trace = 2.429160062364289 (2.59664e-08% change)
large trace change predicted (6.72364e-08%)
linmin: converged after 4 iterations.
iteration 513: trace = 2.429160060730999 (6.72368e-08% change)
linmin: converged after 9 iterations.
iteration 514: trace = 2.429160059092071 (6.74689e-08% change)
linmin: converged after 4 iterations.
iteration 515: trace = 2.429160058640223 (1.8601e-08% change)
large trace change predicted (1.37788e-07%)
linmin: converged after 4 iterations.
iteration 516: trace = 2.429160055293215 (1.37785e-07% change)
linmin: converged after 4 iterations.
iteration 517: trace = 2.429160052668501 (1.0805e-07% change)
linmin: converged after 4 iterations.
iteration 518: trace = 2.429160051444667 (5.0381e-08% change)
large trace change predicted (1.56117e-07%)
linmin: converged after 21 iterations.
iteration 519: trace = 2.429160047652415 (1.56114e-07% change)
linmin: converged after 5 iterations.
iteration 520: trace = 2.429160043638118 (1.65255e-07% change)
linmin: converged after 4 iterations.
iteration 521: trace = 2.429160041837858 (7.41104e-08% change)
linmin: converged after 5 iterations.
iteration 522: trace = 2.429160038508229 (1.37069e-07% change)
linmin: converged after 35 iterations.
iteration 523: trace = 2.429160032321545 (2.54684e-07% change)
linmin: converged after 4 iterations.
iteration 524: trace = 2.429160031307016 (4.17646e-08% change)
large trace change predicted (2.14345e-07%)
linmin: converged after 4 iterations.
iteration 525: trace = 2.429160026100677 (2.14327e-07% change)
linmin: converged after 4 iterations.
iteration 526: trace = 2.429160023199376 (1.19436e-07% change)
linmin: converged after 5 iterations.
iteration 527: trace = 2.429160019372536 (1.57538e-07% change)
linmin: converged after 4 iterations.
iteration 528: trace = 2.42916001545453 (1.61291e-07% change)
linmin: converged after 24 iterations.
iteration 529: trace = 2.429160013400103 (8.45735e-08% change)
linmin: converged after 4 iterations.
iteration 530: trace = 2.42916001041666 (1.22818e-07% change)
linmin: converged after 26 iterations.
iteration 531: trace = 2.4291600078618 (1.05175e-07% change)
linmin: converged after 9 iterations.
iteration 532: trace = 2.429160006365997 (6.15769e-08% change)
linmin: converged after 6 iterations.
iteration 533: trace = 2.429160005060261 (5.37526e-08% change)
linmin: converged after 5 iterations.
iteration 534: trace = 2.429160003164485 (7.80424e-08% change)
linmin: converged after 23 iterations.
iteration 535: trace = 2.42916000262062 (2.2389e-08% change)
linmin: converged after 4 iterations.
iteration 536: trace = 2.429160001707465 (3.75914e-08% change)
linmin: converged after 6 iterations.
iteration 537: trace = 2.42915999996646 (7.16711e-08% change)
linmin: converged after 5 iterations.
iteration 538: trace = 2.429159999583672 (1.5758e-08% change)
large trace change predicted (1.14684e-07%)
linmin: converged after 4 iterations.
iteration 539: trace = 2.429159996797819 (1.14684e-07% change)
linmin: converged after 42 iterations.
iteration 540: trace = 2.429159994434252 (9.72998e-08% change)
linmin: converged after 4 iterations.
iteration 541: trace = 2.429159992983682 (5.97149e-08% change)
large trace change predicted (1.32497e-07%)
linmin: converged after 4 iterations.
iteration 542: trace = 2.429159989765094 (1.32498e-07% change)
linmin: converged after 22 iterations.
iteration 543: trace = 2.429159986006735 (1.54718e-07% change)
linmin: converged after 14 iterations.
iteration 544: trace = 2.429159984648221 (5.59252e-08% change)
large trace change predicted (1.75215e-07%)
linmin: converged after 8 iterations.
iteration 545: trace = 2.429159980391693 (1.75226e-07% change)
linmin: converged after 6 iterations.
iteration 546: trace = 2.429159975868127 (1.86219e-07% change)
linmin: converged after 6 iterations.
iteration 547: trace = 2.42915997401394 (7.63304e-08% change)
linmin: converged after 28 iterations.
iteration 548: trace = 2.429159970899685 (1.28203e-07% change)
linmin: converged after 6 iterations.
iteration 549: trace = 2.429159969023587 (7.72324e-08% change)
linmin: converged after 4 iterations.
iteration 550: trace = 2.429159966923767 (8.64422e-08% change)
linmin: converged after 22 iterations.
iteration 551: trace = 2.42915996411646 (1.15567e-07% change)
linmin: converged after 13 iterations.
iteration 552: trace = 2.429159963256416 (3.5405e-08% change)
large trace change predicted (8.8105e-08%)
linmin: converged after 7 iterations.
iteration 553: trace = 2.429159961116178 (8.81061e-08% change)
linmin: converged after 11 iterations.
iteration 554: trace = 2.429159959850148 (5.2118e-08% change)
linmin: converged after 4 iterations.
iteration 555: trace = 2.429159959204245 (2.65896e-08% change)
large trace change predicted (7.54184e-08%)
linmin: converged after 6 iterations.
iteration 556: trace = 2.429159957372193 (7.54191e-08% change)
linmin: converged after 9 iterations.
iteration 557: trace = 2.429159956173438 (4.93485e-08% change)
linmin: converged after 4 iterations.
iteration 558: trace = 2.429159955303898 (3.5796e-08% change)
linmin: converged after 21 iterations.
iteration 559: trace = 2.429159954282675 (4.20402e-08% change)
resetting CG direction...
linmin: converged after 27 iterations.
iteration 560: trace = 2.4291599533282 (3.92924e-08% change)
linmin: converged after 4 iterations.
iteration 561: trace = 2.429159952578358 (3.08684e-08% change)
linmin: converged after 4 iterations.
iteration 562: trace = 2.429159951443056 (4.67364e-08% change)
linmin: converged after 4 iterations.
iteration 563: trace = 2.429159950151545 (5.3167e-08% change)
linmin: converged after 22 iterations.
iteration 564: trace = 2.429159949375478 (3.1948e-08% change)
linmin: converged after 4 iterations.
iteration 565: trace = 2.429159948162482 (4.99348e-08% change)
linmin: converged after 4 iterations.
iteration 566: trace = 2.4291599472449 (3.77736e-08% change)
linmin: converged after 4 iterations.
iteration 567: trace = 2.429159945643833 (6.59103e-08% change)
linmin: converged after 5 iterations.
iteration 568: trace = 2.429159943403913 (9.22097e-08% change)
linmin: converged after 8 iterations.
iteration 569: trace = 2.42915994270143 (2.89188e-08% change)
large trace change predicted (8.76938e-08%)
linmin: converged after 26 iterations.
iteration 570: trace = 2.429159940571244 (8.76923e-08% change)
linmin: converged after 4 iterations.
iteration 571: trace = 2.429159938341358 (9.17966e-08% change)
linmin: converged after 2 iterations.
iteration 572: trace = 2.429159937434698 (3.7324e-08% change)
large trace change predicted (1.16727e-07%)
linmin: converged after 7 iterations.
iteration 573: trace = 2.429159934599276 (1.16724e-07% change)
linmin: converged after 11 iterations.
iteration 574: trace = 2.429159932015457 (1.06367e-07% change)
linmin: converged after 6 iterations.
iteration 575: trace = 2.429159931189711 (3.39931e-08% change)
large trace change predicted (8.44899e-08%)
linmin: converged after 4 iterations.
iteration 576: trace = 2.429159929137369 (8.44877e-08% change)
linmin: converged after 9 iterations.
iteration 577: trace = 2.429159927564719 (6.47405e-08% change)
linmin: converged after 11 iterations.
iteration 578: trace = 2.429159926618487 (3.89531e-08% change)
linmin: converged after 6 iterations.
iteration 579: trace = 2.429159925434069 (4.87583e-08% change)
linmin: converged after 4 iterations.
iteration 580: trace = 2.429159924270412 (4.79037e-08% change)
linmin: converged after 4 iterations.
iteration 581: trace = 2.429159923930551 (1.39909e-08% change)
large trace change predicted (3.59666e-08%)
linmin: converged after 19 iterations.
iteration 582: trace = 2.429159923056868 (3.59665e-08% change)
linmin: converged after 4 iterations.
iteration 583: trace = 2.429159922883604 (7.13267e-09% change)
large trace change predicted (1.89981e-08%)
linmin: converged after 6 iterations.
iteration 584: trace = 2.429159922422107 (1.89982e-08% change)
linmin: converged after 4 iterations.
iteration 585: trace = 2.42915992158914 (3.42903e-08% change)
linmin: converged after 38 iterations.
iteration 586: trace = 2.42915992139257 (8.09211e-09% change)
large trace change predicted (4.54423e-08%)
linmin: converged after 15 iterations.
iteration 587: trace = 2.429159920288687 (4.5443e-08% change)
linmin: converged after 4 iterations.
iteration 588: trace = 2.429159919525869 (3.14026e-08% change)
linmin: converged after 22 iterations.
iteration 589: trace = 2.429159918945448 (2.38939e-08% change)
large trace change predicted (7.26257e-08%)
linmin: converged after 4 iterations.
iteration 590: trace = 2.429159917181199 (7.26279e-08% change)
linmin: converged after 6 iterations.
iteration 591: trace = 2.429159915582289 (6.58215e-08% change)
linmin: converged after 7 iterations.
iteration 592: trace = 2.429159913632309 (8.02739e-08% change)
linmin: converged after 18 iterations.
iteration 593: trace = 2.429159913160523 (1.94218e-08% change)
large trace change predicted (7.30788e-08%)
linmin: converged after 23 iterations.
iteration 594: trace = 2.429159911385252 (7.30817e-08% change)
linmin: converged after 8 iterations.
iteration 595: trace = 2.429159910327386 (4.35486e-08% change)
linmin: converged after 6 iterations.
iteration 596: trace = 2.429159909261152 (4.38931e-08% change)
linmin: converged after 9 iterations.
iteration 597: trace = 2.429159908063157 (4.93173e-08% change)
linmin: converged after 4 iterations.
iteration 598: trace = 2.429159907270598 (3.26268e-08% change)
linmin: converged after 4 iterations.
iteration 599: trace = 2.429159906645621 (2.57281e-08% change)
linmin: converged after 19 iterations.
iteration 600: trace = 2.429159905508479 (4.68121e-08% change)
linmin: converged after 10 iterations.
iteration 601: trace = 2.429159905267895 (9.904e-09% change)
large trace change predicted (2.6928e-08%)
linmin: converged after 4 iterations.
iteration 602: trace = 2.429159904613762 (2.69284e-08% change)
linmin: converged after 4 iterations.
iteration 603: trace = 2.429159903878265 (3.02778e-08% change)
linmin: converged after 3 iterations.
iteration 604: trace = 2.429159903713339 (6.78944e-09% change)
large trace change predicted (2.14492e-08%)
linmin: converged after 5 iterations.
iteration 605: trace = 2.429159903192303 (2.14492e-08% change)
linmin: converged after 19 iterations.
iteration 606: trace = 2.429159902932113 (1.07111e-08% change)
linmin: converged after 17 iterations.
iteration 607: trace = 2.429159902765158 (6.87297e-09% change)
large trace change predicted (3.11253e-08%)
linmin: converged after 3 iterations.
iteration 608: trace = 2.429159902009078 (3.11251e-08% change)
linmin: converged after 8 iterations.
iteration 609: trace = 2.429159901481877 (2.1703e-08% change)
linmin: converged after 17 iterations.
iteration 610: trace = 2.429159900588093 (3.67939e-08% change)
linmin: converged after 4 iterations.
iteration 611: trace = 2.42915989927498 (5.40563e-08% change)
linmin: converged after 4 iterations.
iteration 612: trace = 2.42915989861517 (2.7162e-08% change)
large trace change predicted (5.86787e-08%)
linmin: converged after 3 iterations.
iteration 613: trace = 2.42915989718979 (5.86779e-08% change)
linmin: converged after 8 iterations.
iteration 614: trace = 2.429159895493415 (6.98338e-08% change)
linmin: converged after 18 iterations.
iteration 615: trace = 2.429159894934415 (2.30121e-08% change)
large trace change predicted (5.43398e-08%)
linmin: converged after 6 iterations.
iteration 616: trace = 2.429159893614428 (5.43392e-08% change)
linmin: converged after 11 iterations.
iteration 617: trace = 2.429159892495774 (4.60511e-08% change)
linmin: converged after 10 iterations.
iteration 618: trace = 2.429159892304168 (7.88774e-09% change)
large trace change predicted (3.69638e-08%)
linmin: converged after 8 iterations.
iteration 619: trace = 2.429159891406282 (3.69628e-08% change)
linmin: converged after 4 iterations.
iteration 620: trace = 2.429159890950887 (1.8747e-08% change)
linmin: converged after 4 iterations.
iteration 621: trace = 2.429159890060528 (3.6653e-08% change)
linmin: converged after 15 iterations.
iteration 622: trace = 2.429159889869549 (7.86196e-09% change)
large trace change predicted (2.69517e-08%)
linmin: converged after 4 iterations.
iteration 623: trace = 2.429159889214849 (2.69517e-08% change)
linmin: converged after 4 iterations.
iteration 624: trace = 2.42915988888567 (1.35511e-08% change)
linmin: converged after 3 iterations.
iteration 625: trace = 2.429159888529328 (1.46694e-08% change)
linmin: converged after 2 iterations.
iteration 626: trace = 2.42915988800726 (2.14917e-08% change)
linmin: converged after 4 iterations.
iteration 627: trace = 2.429159887835717 (7.0618e-09% change)
large trace change predicted (1.67644e-08%)
linmin: converged after 21 iterations.
iteration 628: trace = 2.42915988742849 (1.67641e-08% change)
large trace change predicted (1.49533e-07%)
linmin: converged after 3 iterations.
iteration 629: trace = 2.429159883796028 (1.49536e-07% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 630: trace = 2.429159883038646 (3.11788e-08% change)
linmin: converged after 4 iterations.
iteration 631: trace = 2.429159881622925 (5.82803e-08% change)
linmin: converged after 4 iterations.
iteration 632: trace = 2.429159881236958 (1.58889e-08% change)
linmin: converged after 4 iterations.
iteration 633: trace = 2.429159880753894 (1.98861e-08% change)
linmin: converged after 4 iterations.
iteration 634: trace = 2.429159880061657 (2.8497e-08% change)
linmin: converged after 7 iterations.
iteration 635: trace = 2.429159879702636 (1.47796e-08% change)
linmin: converged after 6 iterations.
iteration 636: trace = 2.429159879341687 (1.4859e-08% change)
linmin: converged after 6 iterations.
iteration 637: trace = 2.429159879034207 (1.26579e-08% change)
linmin: converged after 31 iterations.
iteration 638: trace = 2.429159878958209 (3.12858e-09% change)
large trace change predicted (1.65259e-08%)
linmin: converged after 6 iterations.
iteration 639: trace = 2.429159878556769 (1.65259e-08% change)
linmin: converged after 3 iterations.
iteration 640: trace = 2.429159878234658 (1.32602e-08% change)
linmin: converged after 11 iterations.
iteration 641: trace = 2.42915987803354 (8.27933e-09% change)
linmin: converged after 16 iterations.
iteration 642: trace = 2.429159877639404 (1.62252e-08% change)
linmin: converged after 12 iterations.
iteration 643: trace = 2.429159877048272 (2.43348e-08% change)
linmin: converged after 4 iterations.
iteration 644: trace = 2.429159876730426 (1.30846e-08% change)
large trace change predicted (2.97486e-08%)
linmin: converged after 4 iterations.
iteration 645: trace = 2.429159876007781 (2.97488e-08% change)
linmin: converged after 27 iterations.
iteration 646: trace = 2.42915987547254 (2.2034e-08% change)
linmin: converged after 6 iterations.
iteration 647: trace = 2.429159875129366 (1.41273e-08% change)
linmin: converged after 9 iterations.
iteration 648: trace = 2.429159874455769 (2.77296e-08% change)
linmin: converged after 5 iterations.
iteration 649: trace = 2.42915987404839 (1.67704e-08% change)
linmin: converged after 2 iterations.
iteration 650: trace = 2.429159873754049 (1.2117e-08% change)
large trace change predicted (2.64427e-08%)
linmin: converged after 2 iterations.
iteration 651: trace = 2.429159873111707 (2.6443e-08% change)
linmin: converged after 12 iterations.
iteration 652: trace = 2.429159872945354 (6.84816e-09% change)
large trace change predicted (1.63505e-08%)
linmin: converged after 4 iterations.
iteration 653: trace = 2.429159872548171 (1.63506e-08% change)
linmin: converged after 2 iterations.
iteration 654: trace = 2.429159872291909 (1.05494e-08% change)
linmin: converged after 14 iterations.
iteration 655: trace = 2.429159872142755 (6.14015e-09% change)
linmin: converged after 4 iterations.
iteration 656: trace = 2.429159872109711 (1.3603e-09% change)
large trace change predicted (7.79195e-09%)
linmin: converged after 4 iterations.
iteration 657: trace = 2.429159871920432 (7.79196e-09% change)
linmin: converged after 10 iterations.
iteration 658: trace = 2.429159871785886 (5.53879e-09% change)
linmin: converged after 4 iterations.
iteration 659: trace = 2.429159871654988 (5.38859e-09% change)
large trace change predicted (1.08662e-08%)
linmin: converged after 7 iterations.
iteration 660: trace = 2.429159871391035 (1.08661e-08% change)
linmin: converged after 14 iterations.
iteration 661: trace = 2.429159871232291 (6.5349e-09% change)
large trace change predicted (1.76444e-08%)
linmin: converged after 4 iterations.
iteration 662: trace = 2.429159870803683 (1.76443e-08% change)
linmin: converged after 4 iterations.
iteration 663: trace = 2.4291598704218 (1.57208e-08% change)
linmin: converged after 8 iterations.
iteration 664: trace = 2.429159870020711 (1.65114e-08% change)
linmin: converged after 23 iterations.
iteration 665: trace = 2.429159869830023 (7.84993e-09% change)
large trace change predicted (2.02638e-08%)
linmin: converged after 10 iterations.
iteration 666: trace = 2.429159869337793 (2.02634e-08% change)
linmin: converged after 4 iterations.
iteration 667: trace = 2.429159869182738 (6.38306e-09% change)
linmin: converged after 4 iterations.
iteration 668: trace = 2.429159868933933 (1.02424e-08% change)
linmin: converged after 11 iterations.
iteration 669: trace = 2.429159868515784 (1.72138e-08% change)
linmin: converged after 7 iterations.
iteration 670: trace = 2.429159868347849 (6.91326e-09% change)
large trace change predicted (1.93213e-08%)
linmin: converged after 7 iterations.
iteration 671: trace = 2.429159867878512 (1.9321e-08% change)
linmin: converged after 4 iterations.
iteration 672: trace = 2.429159867572521 (1.25966e-08% change)
linmin: converged after 6 iterations.
iteration 673: trace = 2.429159867343999 (9.40745e-09% change)
linmin: converged after 4 iterations.
iteration 674: trace = 2.429159867301667 (1.74264e-09% change)
large trace change predicted (7.32213e-09%)
linmin: converged after 6 iterations.
iteration 675: trace = 2.429159867123798 (7.32224e-09% change)
linmin: converged after 11 iterations.
iteration 676: trace = 2.429159867035079 (3.65226e-09% change)
linmin: converged after 8 iterations.
iteration 677: trace = 2.429159866976784 (2.39979e-09% change)
large trace change predicted (7.8274e-09%)
linmin: converged after 2 iterations.
iteration 678: trace = 2.429159866786645 (7.82736e-09% change)
linmin: converged after 4 iterations.
iteration 679: trace = 2.429159866748065 (1.58823e-09% change)
large trace change predicted (7.75396e-09%)
linmin: converged after 4 iterations.
iteration 680: trace = 2.429159866559707 (7.75405e-09% change)
linmin: converged after 4 iterations.
iteration 681: trace = 2.429159866448763 (4.56716e-09% change)
linmin: converged after 8 iterations.
iteration 682: trace = 2.429159866344309 (4.29998e-09% change)
large trace change predicted (9.80644e-09%)
linmin: converged after 24 iterations.
iteration 683: trace = 2.429159866106096 (9.80639e-09% change)
linmin: converged after 4 iterations.
iteration 684: trace = 2.429159865737589 (1.51702e-08% change)
linmin: converged after 11 iterations.
iteration 685: trace = 2.429159865589282 (6.10529e-09% change)
large trace change predicted (1.8134e-08%)
linmin: converged after 4 iterations.
iteration 686: trace = 2.429159865148775 (1.81341e-08% change)
linmin: converged after 9 iterations.
iteration 687: trace = 2.42915986461645 (2.1914e-08% change)
linmin: converged after 16 iterations.
iteration 688: trace = 2.42915986451461 (4.19241e-09% change)
large trace change predicted (1.29238e-08%)
linmin: converged after 4 iterations.
iteration 689: trace = 2.429159864200666 (1.29239e-08% change)
linmin: converged after 6 iterations.
iteration 690: trace = 2.429159864046436 (6.34914e-09% change)
linmin: converged after 7 iterations.
iteration 691: trace = 2.429159863975077 (2.93758e-09% change)
large trace change predicted (1.13727e-08%)
linmin: converged after 19 iterations.
iteration 692: trace = 2.429159863698817 (1.13727e-08% change)
linmin: converged after 14 iterations.
iteration 693: trace = 2.429159863467031 (9.54182e-09% change)
linmin: converged after 17 iterations.
iteration 694: trace = 2.42915986339394 (3.00889e-09% change)
large trace change predicted (9.0694e-09%)
linmin: converged after 6 iterations.
iteration 695: trace = 2.42915986317363 (9.06941e-09% change)
linmin: converged after 7 iterations.
iteration 696: trace = 2.429159863067169 (4.38261e-09% change)
linmin: converged after 4 iterations.
iteration 697: trace = 2.429159863000426 (2.74758e-09% change)
linmin: converged after 7 iterations.
iteration 698: trace = 2.429159862869274 (5.39907e-09% change)
linmin: converged after 15 iterations.
iteration 699: trace = 2.429159862841849 (1.129e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 700: trace = 2.429159862817324 (1.0096e-09% change)
large trace change predicted (4.41441e-09%)
linmin: converged after 4 iterations.
iteration 701: trace = 2.429159862710093 (4.41433e-09% change)
linmin: converged after 7 iterations.
iteration 702: trace = 2.429159862671657 (1.58229e-09% change)
large trace change predicted (3.42792e-09%)
linmin: converged after 4 iterations.
iteration 703: trace = 2.429159862588381 (3.42817e-09% change)
large trace change predicted (7.0267e-09%)
linmin: converged after 5 iterations.
iteration 704: trace = 2.429159862417694 (7.02659e-09% change)
linmin: converged after 31 iterations.
iteration 705: trace = 2.429159862299705 (4.8572e-09% change)
linmin: converged after 21 iterations.
iteration 706: trace = 2.429159862217822 (3.37083e-09% change)
large trace change predicted (9.61264e-09%)
linmin: converged after 7 iterations.
iteration 707: trace = 2.429159861984319 (9.6125e-09% change)
linmin: converged after 5 iterations.
iteration 708: trace = 2.429159861910836 (3.02504e-09% change)
large trace change predicted (6.39403e-09%)
linmin: converged after 5 iterations.
iteration 709: trace = 2.429159861755516 (6.39399e-09% change)
linmin: converged after 32 iterations.
iteration 710: trace = 2.429159861568509 (7.6984e-09% change)
linmin: converged after 5 iterations.
iteration 711: trace = 2.429159861446432 (5.0255e-09% change)
linmin: converged after 5 iterations.
iteration 712: trace = 2.4291598613165 (5.34883e-09% change)
large trace change predicted (1.40112e-08%)
linmin: converged after 4 iterations.
iteration 713: trace = 2.429159860976155 (1.40108e-08% change)
linmin: converged after 4 iterations.
iteration 714: trace = 2.429159860905781 (2.89705e-09% change)
large trace change predicted (1.26274e-08%)
linmin: converged after 6 iterations.
iteration 715: trace = 2.429159860599047 (1.26271e-08% change)
linmin: converged after 4 iterations.
iteration 716: trace = 2.42915986043266 (6.84958e-09% change)
linmin: converged after 9 iterations.
iteration 717: trace = 2.429159860391763 (1.68357e-09% change)
large trace change predicted (4.29243e-09%)
linmin: converged after 17 iterations.
iteration 718: trace = 2.429159860287493 (4.29246e-09% change)
linmin: converged after 8 iterations.
iteration 719: trace = 2.42915986019017 (4.00645e-09% change)
linmin: converged after 13 iterations.
iteration 720: trace = 2.429159860169502 (8.50807e-10% change)
large trace change predicted (2.70274e-09%)
linmin: converged after 16 iterations.
iteration 721: trace = 2.429159860103848 (2.70275e-09% change)
linmin: converged after 15 iterations.
iteration 722: trace = 2.429159860054798 (2.01922e-09% change)
linmin: converged after 7 iterations.
iteration 723: trace = 2.429159860031161 (9.73056e-10% change)
large trace change predicted (3.96993e-09%)
linmin: converged after 6 iterations.
iteration 724: trace = 2.429159859934724 (3.96996e-09% change)
linmin: converged after 15 iterations.
iteration 725: trace = 2.429159859900426 (1.41192e-09% change)
linmin: converged after 16 iterations.
iteration 726: trace = 2.429159859833863 (2.74017e-09% change)
linmin: converged after 4 iterations.
iteration 727: trace = 2.429159859717016 (4.81018e-09% change)
linmin: converged after 5 iterations.
iteration 728: trace = 2.429159859612486 (4.30312e-09% change)
linmin: converged after 4 iterations.
iteration 729: trace = 2.429159859518859 (3.85433e-09% change)
linmin: converged after 4 iterations.
iteration 730: trace = 2.429159859344885 (7.16187e-09% change)
linmin: converged after 33 iterations.
iteration 731: trace = 2.429159859160336 (7.59725e-09% change)
linmin: converged after 14 iterations.
iteration 732: trace = 2.429159859108275 (2.14317e-09% change)
large trace change predicted (5.2769e-09%)
linmin: converged after 4 iterations.
iteration 733: trace = 2.42915985898009 (5.27695e-09% change)
linmin: converged after 4 iterations.
iteration 734: trace = 2.429159858883916 (3.95912e-09% change)
linmin: converged after 19 iterations.
iteration 735: trace = 2.429159858817774 (2.72286e-09% change)
linmin: converged after 25 iterations.
iteration 736: trace = 2.429159858694342 (5.08124e-09% change)
linmin: converged after 8 iterations.
iteration 737: trace = 2.429159858540137 (6.3481e-09% change)
linmin: converged after 19 iterations.
iteration 738: trace = 2.429159858509353 (1.26726e-09% change)
large trace change predicted (3.66781e-09%)
linmin: converged after 19 iterations.
iteration 739: trace = 2.429159858420257 (3.66775e-09% change)
linmin: converged after 18 iterations.
iteration 740: trace = 2.429159858389306 (1.27417e-09% change)
linmin: converged after 15 iterations.
iteration 741: trace = 2.429159858356002 (1.37099e-09% change)
linmin: converged after 5 iterations.
iteration 742: trace = 2.42915985830757 (1.99377e-09% change)
linmin: converged after 9 iterations.
iteration 743: trace = 2.429159858285608 (9.04098e-10% change)
linmin: converged after 16 iterations.
iteration 744: trace = 2.429159858267683 (7.37918e-10% change)
large trace change predicted (2.52462e-09%)
linmin: converged after 5 iterations.
iteration 745: trace = 2.429159858206351 (2.52483e-09% change)
linmin: converged after 7 iterations.
iteration 746: trace = 2.42915985819415 (5.02269e-10% change)
large trace change predicted (4.06531e-09%)
linmin: converged after 16 iterations.
iteration 747: trace = 2.429159858095398 (4.06526e-09% change)
linmin: converged after 4 iterations.
iteration 748: trace = 2.429159858022407 (3.0048e-09% change)
large trace change predicted (6.3672e-09%)
linmin: converged after 9 iterations.
iteration 749: trace = 2.429159857867736 (6.36724e-09% change)
linmin: converged after 16 iterations.
iteration 750: trace = 2.429159857827281 (1.6654e-09% change)
large trace change predicted (6.23167e-09%)
linmin: converged after 6 iterations.
iteration 751: trace = 2.429159857675906 (6.23157e-09% change)
linmin: converged after 6 iterations.
iteration 752: trace = 2.429159857563191 (4.64011e-09% change)
linmin: converged after 6 iterations.
iteration 753: trace = 2.429159857502253 (2.50856e-09% change)
large trace change predicted (5.60543e-09%)
linmin: converged after 24 iterations.
iteration 754: trace = 2.429159857366087 (5.6055e-09% change)
linmin: converged after 6 iterations.
iteration 755: trace = 2.429159857333167 (1.35518e-09% change)
large trace change predicted (3.08164e-09%)
linmin: converged after 2 iterations.
iteration 756: trace = 2.429159857258312 (3.08155e-09% change)
linmin: converged after 7 iterations.
iteration 757: trace = 2.429159857196233 (2.55557e-09% change)
linmin: converged after 18 iterations.
iteration 758: trace = 2.429159857139626 (2.3303e-09% change)
linmin: converged after 22 iterations.
iteration 759: trace = 2.429159857098365 (1.6986e-09% change)
linmin: converged after 16 iterations.
iteration 760: trace = 2.429159857034882 (2.61335e-09% change)
linmin: converged after 4 iterations.
iteration 761: trace = 2.429159857016957 (7.37918e-10% change)
linmin: converged after 4 iterations.
iteration 762: trace = 2.429159856987269 (1.22216e-09% change)
linmin: converged after 17 iterations.
iteration 763: trace = 2.429159856932958 (2.23578e-09% change)
linmin: converged after 4 iterations.
iteration 764: trace = 2.42915985691513 (7.33896e-10% change)
large trace change predicted (3.37889e-09%)
linmin: converged after 6 iterations.
iteration 765: trace = 2.429159856833055 (3.37875e-09% change)
linmin: converged after 12 iterations.
iteration 766: trace = 2.429159856776765 (2.31725e-09% change)
linmin: converged after 7 iterations.
iteration 767: trace = 2.429159856742263 (1.42033e-09% change)
large trace change predicted (6.3265e-09%)
linmin: converged after 2 iterations.
iteration 768: trace = 2.429159856588583 (6.32649e-09% change)
linmin: converged after 5 iterations.
iteration 769: trace = 2.429159856521711 (2.75286e-09% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 770: trace = 2.429159856465041 (2.33293e-09% change)
linmin: converged after 5 iterations.
iteration 771: trace = 2.429159856358117 (4.40166e-09% change)
linmin: converged after 28 iterations.
iteration 772: trace = 2.429159856321537 (1.50587e-09% change)
linmin: converged after 29 iterations.
iteration 773: trace = 2.429159856298917 (9.31173e-10% change)
large trace change predicted (3.32488e-09%)
linmin: converged after 14 iterations.
iteration 774: trace = 2.42915985621815 (3.32493e-09% change)
linmin: converged after 4 iterations.
iteration 775: trace = 2.429159856197543 (8.48284e-10% change)
large trace change predicted (2.18775e-09%)
linmin: converged after 3 iterations.
iteration 776: trace = 2.429159856144396 (2.18789e-09% change)
linmin: converged after 4 iterations.
iteration 777: trace = 2.429159856113923 (1.25446e-09% change)
linmin: converged after 4 iterations.
iteration 778: trace = 2.429159856105955 (3.28008e-10% change)
large trace change predicted (1.34596e-09%)
linmin: converged after 6 iterations.
iteration 779: trace = 2.429159856073258 (1.34604e-09% change)
linmin: converged after 9 iterations.
iteration 780: trace = 2.429159856046637 (1.09591e-09% change)
linmin: converged after 3 iterations.
iteration 781: trace = 2.429159856034334 (5.06455e-10% change)
large trace change predicted (1.81928e-09%)
linmin: converged after 4 iterations.
iteration 782: trace = 2.429159855990141 (1.81926e-09% change)
linmin: converged after 19 iterations.
iteration 783: trace = 2.429159855942319 (1.96869e-09% change)
linmin: converged after 4 iterations.
iteration 784: trace = 2.429159855917947 (1.00328e-09% change)
large trace change predicted (2.94489e-09%)
linmin: converged after 5 iterations.
iteration 785: trace = 2.429159855846413 (2.94484e-09% change)
linmin: converged after 17 iterations.
iteration 786: trace = 2.429159855807143 (1.61659e-09% change)
linmin: converged after 18 iterations.
iteration 787: trace = 2.429159855781426 (1.05871e-09% change)
large trace change predicted (4.05376e-09%)
linmin: converged after 4 iterations.
iteration 788: trace = 2.429159855682951 (4.05385e-09% change)
linmin: converged after 18 iterations.
iteration 789: trace = 2.429159855659141 (9.80186e-10% change)
large trace change predicted (2.23559e-09%)
linmin: converged after 7 iterations.
iteration 790: trace = 2.429159855604836 (2.23555e-09% change)
linmin: converged after 17 iterations.
iteration 791: trace = 2.429159855555326 (2.03816e-09% change)
linmin: converged after 4 iterations.
iteration 792: trace = 2.429159855544709 (4.3704e-10% change)
large trace change predicted (1.50107e-09%)
linmin: converged after 28 iterations.
iteration 793: trace = 2.429159855508243 (1.50118e-09% change)
linmin: converged after 17 iterations.
iteration 794: trace = 2.429159855487035 (8.73056e-10% change)
linmin: converged after 9 iterations.
iteration 795: trace = 2.429159855460267 (1.10194e-09% change)
linmin: converged after 10 iterations.
iteration 796: trace = 2.429159855457197 (1.26381e-10% change)
large trace change predicted (8.69335e-10%)
linmin: converged after 23 iterations.
iteration 797: trace = 2.429159855436085 (8.69125e-10% change)
linmin: converged after 4 iterations.
iteration 798: trace = 2.429159855425723 (4.26583e-10% change)
linmin: converged after 11 iterations.
iteration 799: trace = 2.429159855418599 (2.93255e-10% change)
large trace change predicted (1.01055e-09%)
linmin: converged after 9 iterations.
iteration 800: trace = 2.429159855394055 (1.01037e-09% change)
linmin: converged after 23 iterations.
iteration 801: trace = 2.429159855354492 (1.62869e-09% change)
linmin: converged after 4 iterations.
iteration 802: trace = 2.429159855339087 (6.3417e-10% change)
large trace change predicted (1.58762e-09%)
linmin: converged after 27 iterations.
iteration 803: trace = 2.429159855300523 (1.58756e-09% change)
linmin: converged after 26 iterations.
iteration 804: trace = 2.429159855239667 (2.5052e-09% change)
linmin: converged after 19 iterations.
iteration 805: trace = 2.429159855229303 (4.26674e-10% change)
large trace change predicted (1.60593e-09%)
linmin: converged after 7 iterations.
iteration 806: trace = 2.429159855190296 (1.60578e-09% change)
linmin: converged after 9 iterations.
iteration 807: trace = 2.429159855164364 (1.06752e-09% change)
linmin: converged after 4 iterations.
iteration 808: trace = 2.4291598551539 (4.30769e-10% change)
large trace change predicted (1.9215e-09%)
linmin: converged after 30 iterations.
iteration 809: trace = 2.429159855107222 (1.92156e-09% change)
linmin: converged after 25 iterations.
iteration 810: trace = 2.429159855072568 (1.42659e-09% change)
linmin: converged after 19 iterations.
iteration 811: trace = 2.429159855051487 (8.67827e-10% change)
linmin: converged after 5 iterations.
iteration 812: trace = 2.429159855019166 (1.33055e-09% change)
linmin: converged after 4 iterations.
iteration 813: trace = 2.42915985500638 (5.26345e-10% change)
linmin: converged after 18 iterations.
iteration 814: trace = 2.429159854993845 (5.16035e-10% change)
linmin: converged after 13 iterations.
iteration 815: trace = 2.429159854979437 (5.93128e-10% change)
linmin: converged after 3 iterations.
iteration 816: trace = 2.42915985497046 (3.69526e-10% change)
linmin: converged after 15 iterations.
iteration 817: trace = 2.429159854962464 (3.29178e-10% change)
large trace change predicted (6.97686e-10%)
linmin: converged after 3 iterations.
iteration 818: trace = 2.429159854945522 (6.97461e-10% change)
linmin: converged after 18 iterations.
iteration 819: trace = 2.429159854942891 (1.083e-10% change)
large trace change predicted (6.75402e-10%)
linmin: converged after 3 iterations.
iteration 820: trace = 2.429159854926489 (6.75194e-10% change)
linmin: converged after 12 iterations.
iteration 821: trace = 2.429159854914258 (5.03512e-10% change)
linmin: converged after 18 iterations.
iteration 822: trace = 2.429159854909535 (1.94425e-10% change)
large trace change predicted (1.18364e-09%)
linmin: converged after 12 iterations.
iteration 823: trace = 2.429159854880787 (1.18348e-09% change)
linmin: converged after 12 iterations.
iteration 824: trace = 2.429159854858846 (9.03221e-10% change)
linmin: converged after 15 iterations.
iteration 825: trace = 2.429159854831322 (1.13306e-09% change)
linmin: converged after 6 iterations.
iteration 826: trace = 2.429159854791128 (1.65465e-09% change)
linmin: converged after 7 iterations.
iteration 827: trace = 2.429159854748298 (1.76317e-09% change)
linmin: converged after 4 iterations.
iteration 828: trace = 2.429159854717928 (1.25024e-09% change)
linmin: converged after 6 iterations.
iteration 829: trace = 2.429159854700446 (7.19655e-10% change)
linmin: converged after 21 iterations.
iteration 830: trace = 2.429159854684589 (6.52781e-10% change)
linmin: converged after 4 iterations.
iteration 831: trace = 2.429159854656265 (1.166e-09% change)
linmin: converged after 17 iterations.
iteration 832: trace = 2.429159854650829 (2.23803e-10% change)
large trace change predicted (1.01319e-09%)
linmin: converged after 7 iterations.
iteration 833: trace = 2.429159854626223 (1.01295e-09% change)
linmin: converged after 4 iterations.
iteration 834: trace = 2.42915985460857 (7.26675e-10% change)
linmin: converged after 3 iterations.
iteration 835: trace = 2.429159854601671 (2.84041e-10% change)
linmin: converged after 14 iterations.
iteration 836: trace = 2.429159854589374 (5.06217e-10% change)
linmin: converged after 3 iterations.
iteration 837: trace = 2.429159854584687 (1.92926e-10% change)
linmin: converged after 2 iterations.
iteration 838: trace = 2.429159854576523 (3.36107e-10% change)
linmin: converged after 16 iterations.
iteration 839: trace = 2.429159854568384 (3.35047e-10% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 840: trace = 2.42915985456455 (1.57825e-10% change)
linmin: converged after 4 iterations.
iteration 841: trace = 2.429159854559047 (2.26546e-10% change)
linmin: converged after 3 iterations.
iteration 842: trace = 2.429159854550802 (3.39398e-10% change)
linmin: converged after 19 iterations.
iteration 843: trace = 2.429159854547918 (1.18721e-10% change)
large trace change predicted (4.5065e-10%)
linmin: converged after 3 iterations.
iteration 844: trace = 2.429159854536973 (4.50605e-10% change)
linmin: converged after 24 iterations.
iteration 845: trace = 2.429159854522967 (5.76547e-10% change)
linmin: converged after 6 iterations.
iteration 846: trace = 2.429159854517335 (2.31865e-10% change)
large trace change predicted (9.61058e-10%)
linmin: converged after 12 iterations.
iteration 847: trace = 2.429159854493989 (9.61064e-10% change)
linmin: converged after 10 iterations.
iteration 848: trace = 2.42915985448577 (3.38338e-10% change)
linmin: converged after 6 iterations.
iteration 849: trace = 2.429159854473306 (5.1311e-10% change)
linmin: converged after 4 iterations.
iteration 850: trace = 2.429159854457098 (6.67223e-10% change)
linmin: converged after 4 iterations.
iteration 851: trace = 2.429159854447013 (4.15175e-10% change)
linmin: converged after 22 iterations.
iteration 852: trace = 2.429159854430041 (6.98668e-10% change)
linmin: converged after 4 iterations.
iteration 853: trace = 2.429159854401489 (1.17538e-09% change)
linmin: converged after 3 iterations.
iteration 854: trace = 2.429159854394316 (2.95321e-10% change)
large trace change predicted (1.01136e-09%)
linmin: converged after 4 iterations.
iteration 855: trace = 2.429159854369746 (1.01145e-09% change)
linmin: converged after 15 iterations.
iteration 856: trace = 2.429159854356542 (5.43548e-10% change)
linmin: converged after 11 iterations.
iteration 857: trace = 2.429159854344461 (4.97351e-10% change)
linmin: converged after 8 iterations.
iteration 858: trace = 2.429159854327901 (6.81702e-10% change)
linmin: converged after 6 iterations.
iteration 859: trace = 2.429159854322308 (2.30257e-10% change)
linmin: converged after 3 iterations.
iteration 860: trace = 2.429159854318657 (1.50275e-10% change)
linmin: converged after 9 iterations.
iteration 861: trace = 2.429159854311619 (2.89745e-10% change)
linmin: converged after 6 iterations.
iteration 862: trace = 2.429159854304627 (2.87825e-10% change)
linmin: converged after 18 iterations.
iteration 863: trace = 2.429159854303058 (6.45889e-11% change)
Finished solving for bands 1 to 10 after 863 iterations.
tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717
elapsed time for k point: 35.44437336921692
solve_kpoint (0,0,0):
Solving for bands 2 to 10...
linmin: converged after 4 iterations.
iteration 1: trace = 2.433380124304858 (3.19205% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.422813957853151 (0.435162% change)
linmin: converged after 3 iterations.
iteration 3: trace = 2.410436460818315 (0.512181% change)
linmin: converged after 3 iterations.
iteration 4: trace = 2.404737472281081 (0.23671% change)
linmin: converged after 3 iterations.
iteration 5: trace = 2.402921431695999 (0.0755478% change)
linmin: converged after 3 iterations.
iteration 6: trace = 2.401560348970514 (0.0566589% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.401273601112772 (0.0119408% change)
large trace change predicted (0.0255597%)
linmin: converged after 4 iterations.
iteration 8: trace = 2.400660422396954 (0.0255388% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.400394211407274 (0.0110897% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.400303524499693 (0.00377807% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.400130152425029 (0.00722318% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.400008392599004 (0.00507318% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.399912583051916 (0.00399213% change)
large trace change predicted (0.0102643%)
linmin: converged after 4 iterations.
iteration 14: trace = 2.39966612549191 (0.01027% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.39955686513503 (0.00455325% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.39937188603231 (0.00770918% change)
linmin: converged after 4 iterations.
iteration 17: trace = 2.399289072781011 (0.00345151% change)
large trace change predicted (0.00782297%)
linmin: converged after 4 iterations.
iteration 18: trace = 2.399101348936375 (0.00782445% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.398879563092243 (0.00924497% change)
linmin: converged after 5 iterations.
iteration 20: trace = 2.398649870205137 (0.00957547% change)
large trace change predicted (0.0239454%)
linmin: converged after 4 iterations.
iteration 21: trace = 2.398075268259338 (0.0239581% change)
linmin: converged after 5 iterations.
iteration 22: trace = 2.397887110182702 (0.00784652% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.397522294775239 (0.0152152% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.397281812088585 (0.010031% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.396981261499935 (0.0125379% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.396715626520207 (0.0110827% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.396618613907926 (0.00404781% change)
large trace change predicted (0.0090078%)
linmin: converged after 3 iterations.
iteration 28: trace = 2.396402847978432 (0.00900334% change)
linmin: converged after 5 iterations.
iteration 29: trace = 2.396349175741548 (0.00223973% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.396256438116035 (0.00387003% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.396207645812547 (0.00203621% change)
linmin: converged after 3 iterations.
iteration 32: trace = 2.396167649113405 (0.00166918% change)
large trace change predicted (0.00396802%)
linmin: converged after 3 iterations.
iteration 33: trace = 2.396072575763294 (0.0039678% change)
linmin: converged after 14 iterations.
iteration 34: trace = 2.396038774671857 (0.0014107% change)
large trace change predicted (0.00652603%)
linmin: converged after 12 iterations.
iteration 35: trace = 2.395882463430421 (0.00652395% change)
linmin: converged after 4 iterations.
iteration 36: trace = 2.395832662700395 (0.00207862% change)
large trace change predicted (0.00897499%)
linmin: converged after 4 iterations.
iteration 37: trace = 2.39561764812327 (0.00897493% change)
linmin: converged after 4 iterations.
iteration 38: trace = 2.395533905922083 (0.0034957% change)
large trace change predicted (0.00705095%)
linmin: converged after 4 iterations.
iteration 39: trace = 2.39536495615372 (0.00705295% change)
linmin: converged after 4 iterations.
iteration 40: trace = 2.395255837403923 (0.00455552% change)
linmin: converged after 5 iterations.
iteration 41: trace = 2.395086666506282 (0.007063% change)
linmin: converged after 7 iterations.
iteration 42: trace = 2.395028266342813 (0.00243836% change)
large trace change predicted (0.00633162%)
linmin: converged after 4 iterations.
iteration 43: trace = 2.394876564762501 (0.00633422% change)
linmin: converged after 5 iterations.
iteration 44: trace = 2.394823822640608 (0.00220231% change)
large trace change predicted (0.00784706%)
linmin: converged after 4 iterations.
iteration 45: trace = 2.39463588748624 (0.00784786% change)
linmin: converged after 4 iterations.
iteration 46: trace = 2.394551771201341 (0.00351276% change)
large trace change predicted (0.00730796%)
linmin: converged after 4 iterations.
iteration 47: trace = 2.394376648056848 (0.00731367% change)
linmin: converged after 3 iterations.
iteration 48: trace = 2.394320482220912 (0.00234577% change)
large trace change predicted (0.00692652%)
linmin: converged after 4 iterations.
iteration 49: trace = 2.394154609450363 (0.006928% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.394120835153223 (0.00141071% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.394082495560068 (0.00160142% change)
linmin: converged after 4 iterations.
iteration 52: trace = 2.394061913868271 (0.000859694% change)
linmin: converged after 3 iterations.
iteration 53: trace = 2.394035881744374 (0.00108737% change)
linmin: converged after 4 iterations.
iteration 54: trace = 2.394025507486848 (0.000433339% change)
large trace change predicted (0.0010626%)
linmin: converged after 4 iterations.
iteration 55: trace = 2.394000059486189 (0.00106299% change)
linmin: converged after 5 iterations.
iteration 56: trace = 2.393990088808856 (0.000416487% change)
large trace change predicted (0.00146991%)
linmin: converged after 3 iterations.
iteration 57: trace = 2.393954902035357 (0.00146981% change)
linmin: converged after 4 iterations.
iteration 58: trace = 2.393941205589446 (0.000572128% change)
large trace change predicted (0.00230758%)
linmin: converged after 4 iterations.
iteration 59: trace = 2.393885961363607 (0.0023077% change)
linmin: converged after 7 iterations.
iteration 60: trace = 2.393857234377875 (0.00120002% change)
large trace change predicted (0.0035278%)
linmin: converged after 8 iterations.
iteration 61: trace = 2.393772843716319 (0.00352536% change)
linmin: converged after 4 iterations.
iteration 62: trace = 2.393670914591524 (0.00425819% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.393605496480592 (0.002733% change)
linmin: converged after 4 iterations.
iteration 64: trace = 2.393487963094304 (0.00491043% change)
linmin: converged after 4 iterations.
iteration 65: trace = 2.393448290672057 (0.00165753% change)
linmin: converged after 3 iterations.
iteration 66: trace = 2.393405497798788 (0.00178793% change)
linmin: converged after 4 iterations.
iteration 67: trace = 2.393388072851804 (0.000728043% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.393359854223333 (0.00117903% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.393348483527521 (0.000475095% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 2.393343837015129 (0.000194143% change)
linmin: converged after 7 iterations.
iteration 71: trace = 2.393336363523268 (0.000312262% change)
linmin: converged after 4 iterations.
iteration 72: trace = 2.393333598170835 (0.000115544% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.393329150054836 (0.000185855% change)
large trace change predicted (0.000414728%)
linmin: converged after 4 iterations.
iteration 74: trace = 2.39331922399139 (0.00041474% change)
linmin: converged after 5 iterations.
iteration 75: trace = 2.39331596569077 (0.000136142% change)
large trace change predicted (0.000439215%)
linmin: converged after 2 iterations.
iteration 76: trace = 2.393305453764279 (0.000439221% change)
linmin: converged after 6 iterations.
iteration 77: trace = 2.393296687312429 (0.000366291% change)
linmin: converged after 4 iterations.
iteration 78: trace = 2.39329144496132 (0.000219043% change)
linmin: converged after 4 iterations.
iteration 79: trace = 2.393281124540538 (0.000431224% change)
linmin: converged after 3 iterations.
iteration 80: trace = 2.393276815440569 (0.00018005% change)
large trace change predicted (0.000404501%)
linmin: converged after 4 iterations.
iteration 81: trace = 2.393267130640572 (0.000404668% change)
linmin: converged after 4 iterations.
iteration 82: trace = 2.393257359773369 (0.000408266% change)
large trace change predicted (0.000854188%)
linmin: converged after 4 iterations.
iteration 83: trace = 2.3932369192801 (0.00085409% change)
linmin: converged after 5 iterations.
iteration 84: trace = 2.393229557837127 (0.000307594% change)
large trace change predicted (0.00100509%)
linmin: converged after 4 iterations.
iteration 85: trace = 2.393205497878049 (0.00100534% change)
linmin: converged after 6 iterations.
iteration 86: trace = 2.39319866014741 (0.000285715% change)
large trace change predicted (0.000600605%)
linmin: converged after 7 iterations.
iteration 87: trace = 2.393184288761997 (0.000600511% change)
linmin: converged after 5 iterations.
iteration 88: trace = 2.393180115500064 (0.000174381% change)
linmin: converged after 4 iterations.
iteration 89: trace = 2.393172859481532 (0.000303196% change)
linmin: converged after 4 iterations.
iteration 90: trace = 2.393169669565756 (0.000133292% change)
linmin: converged after 3 iterations.
iteration 91: trace = 2.393167343778703 (9.71844e-05% change)
linmin: converged after 4 iterations.
iteration 92: trace = 2.393163700408488 (0.000152241% change)
linmin: converged after 4 iterations.
iteration 93: trace = 2.393162870254576 (3.46886e-05% change)
linmin: converged after 4 iterations.
iteration 94: trace = 2.393161240938619 (6.80821e-05% change)
linmin: converged after 4 iterations.
iteration 95: trace = 2.393159489493315 (7.31855e-05% change)
linmin: converged after 3 iterations.
iteration 96: trace = 2.393158673817102 (3.40837e-05% change)
large trace change predicted (8.56565e-05%)
linmin: converged after 4 iterations.
iteration 97: trace = 2.393156623982363 (8.5654e-05% change)
linmin: converged after 5 iterations.
iteration 98: trace = 2.393155251294039 (5.73589e-05% change)
linmin: converged after 4 iterations.
iteration 99: trace = 2.393154249135244 (4.18761e-05% change)
large trace change predicted (0.000112009%)
linmin: converged after 4 iterations.
iteration 100: trace = 2.393151568307313 (0.000112021% change)
linmin: converged after 3 iterations.
iteration 101: trace = 2.393149956347883 (6.73572e-05% change)
linmin: converged after 3 iterations.
iteration 102: trace = 2.393149015277626 (3.93235e-05% change)
large trace change predicted (0.000107678%)
linmin: converged after 5 iterations.
iteration 103: trace = 2.393146438660454 (0.000107666% change)
linmin: converged after 3 iterations.
iteration 104: trace = 2.393144081994803 (9.84757e-05% change)
linmin: converged after 5 iterations.
iteration 105: trace = 2.39314308725204 (4.15664e-05% change)
linmin: converged after 5 iterations.
iteration 106: trace = 2.39314123328104 (7.74702e-05% change)
linmin: converged after 4 iterations.
iteration 107: trace = 2.393138508263703 (0.000113868% change)
linmin: converged after 3 iterations.
iteration 108: trace = 2.393137240529313 (5.29737e-05% change)
linmin: converged after 4 iterations.
iteration 109: trace = 2.393135806331574 (5.99296e-05% change)
large trace change predicted (0.000129686%)
linmin: converged after 3 iterations.
iteration 110: trace = 2.393132703114377 (0.000129672% change)
linmin: converged after 4 iterations.
iteration 111: trace = 2.393130663063717 (8.52461e-05% change)
linmin: converged after 2 iterations.
iteration 112: trace = 2.393129702053291 (4.0157e-05% change)
linmin: converged after 6 iterations.
iteration 113: trace = 2.393127897284498 (7.54146e-05% change)
linmin: converged after 2 iterations.
iteration 114: trace = 2.393124696485005 (0.00013375% change)
linmin: converged after 4 iterations.
iteration 115: trace = 2.393122847811564 (7.72494e-05% change)
linmin: converged after 2 iterations.
iteration 116: trace = 2.393121444970771 (5.86197e-05% change)
large trace change predicted (0.000135312%)
linmin: converged after 4 iterations.
iteration 117: trace = 2.393118206905052 (0.000135307% change)
linmin: converged after 4 iterations.
iteration 118: trace = 2.393114161332663 (0.00016905% change)
linmin: converged after 6 iterations.
iteration 119: trace = 2.393112369885688 (7.48584e-05% change)
linmin: converged after 3 iterations.
iteration 120: trace = 2.393110881531944 (6.21932e-05% change)
large trace change predicted (0.000132911%)
linmin: converged after 4 iterations.
iteration 121: trace = 2.393107700593636 (0.000132921% change)
linmin: converged after 4 iterations.
iteration 122: trace = 2.393104608047903 (0.000129227% change)
linmin: converged after 5 iterations.
iteration 123: trace = 2.393103244517627 (5.69775e-05% change)
linmin: converged after 4 iterations.
iteration 124: trace = 2.393101749584581 (6.24684e-05% change)
linmin: converged after 3 iterations.
iteration 125: trace = 2.39309881874507 (0.00012247% change)
linmin: converged after 4 iterations.
iteration 126: trace = 2.393096741782611 (8.67897e-05% change)
linmin: converged after 4 iterations.
iteration 127: trace = 2.393095822111325 (3.84302e-05% change)
linmin: converged after 3 iterations.
iteration 128: trace = 2.39309447002076 (5.64997e-05% change)
linmin: converged after 4 iterations.
iteration 129: trace = 2.393092157224396 (9.66446e-05% change)
linmin: converged after 4 iterations.
iteration 130: trace = 2.393090972916624 (4.94886e-05% change)
linmin: converged after 5 iterations.
iteration 131: trace = 2.393090426793293 (2.28208e-05% change)
linmin: converged after 5 iterations.
iteration 132: trace = 2.393089501967232 (3.86457e-05% change)
linmin: converged after 3 iterations.
iteration 133: trace = 2.393088413822471 (4.54703e-05% change)
linmin: converged after 3 iterations.
iteration 134: trace = 2.393088020957876 (1.64166e-05% change)
linmin: converged after 4 iterations.
iteration 135: trace = 2.393087780942407 (1.00295e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 2.393087334153206 (1.867e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 2.39308697399356 (1.505e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 2.393086796042441 (7.43605e-06% change)
linmin: converged after 2 iterations.
iteration 139: trace = 2.39308644358759 (1.4728e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 2.393085964419358 (2.0023e-05% change)
linmin: converged after 5 iterations.
iteration 141: trace = 2.39308558578386 (1.58221e-05% change)
large trace change predicted (3.70996e-05%)
linmin: converged after 2 iterations.
iteration 142: trace = 2.393084697946854 (3.71001e-05% change)
linmin: converged after 4 iterations.
iteration 143: trace = 2.393083967712773 (3.05143e-05% change)
large trace change predicted (9.09158e-05%)
linmin: converged after 2 iterations.
iteration 144: trace = 2.393081791888724 (9.09214e-05% change)
linmin: converged after 4 iterations.
iteration 145: trace = 2.393081047511928 (3.11054e-05% change)
large trace change predicted (9.54116e-05%)
linmin: converged after 2 iterations.
iteration 146: trace = 2.393078764001862 (9.54214e-05% change)
linmin: converged after 4 iterations.
iteration 147: trace = 2.393076685508733 (8.68544e-05% change)
linmin: converged after 4 iterations.
iteration 148: trace = 2.393075978680122 (2.95364e-05% change)
large trace change predicted (7.78024e-05%)
linmin: converged after 3 iterations.
iteration 149: trace = 2.393074116903839 (7.77985e-05% change)
linmin: converged after 4 iterations.
iteration 150: trace = 2.393073006262979 (4.64106e-05% change)
linmin: converged after 3 iterations.
iteration 151: trace = 2.393072409379019 (2.49422e-05% change)
large trace change predicted (6.27636e-05%)
linmin: converged after 2 iterations.
iteration 152: trace = 2.393070907251873 (6.27698e-05% change)
linmin: converged after 3 iterations.
iteration 153: trace = 2.393070514675967 (1.64047e-05% change)
large trace change predicted (4.71186e-05%)
linmin: converged after 2 iterations.
iteration 154: trace = 2.393069387069712 (4.71197e-05% change)
linmin: converged after 4 iterations.
iteration 155: trace = 2.393069064685406 (1.34716e-05% change)
linmin: converged after 2 iterations.
iteration 156: trace = 2.393068498408129 (2.36632e-05% change)
linmin: converged after 2 iterations.
iteration 157: trace = 2.393067869936071 (2.62622e-05% change)
linmin: converged after 5 iterations.
iteration 158: trace = 2.393067640499179 (9.58756e-06% change)
large trace change predicted (2.99995e-05%)
linmin: converged after 4 iterations.
iteration 159: trace = 2.393066922607111 (2.99988e-05% change)
linmin: converged after 5 iterations.
iteration 160: trace = 2.393066760488533 (6.77451e-06% change)
large trace change predicted (2.34839e-05%)
linmin: converged after 5 iterations.
iteration 161: trace = 2.393066198531526 (2.34827e-05% change)
linmin: converged after 2 iterations.
iteration 162: trace = 2.393065959542484 (9.98673e-06% change)
large trace change predicted (3.04881e-05%)
linmin: converged after 19 iterations.
iteration 163: trace = 2.393065229947614 (3.04879e-05% change)
linmin: converged after 4 iterations.
iteration 164: trace = 2.393064297196831 (3.89772e-05% change)
linmin: converged after 4 iterations.
iteration 165: trace = 2.393063832751709 (1.9408e-05% change)
large trace change predicted (9.00171e-05%)
linmin: converged after 2 iterations.
iteration 166: trace = 2.393061678473331 (9.00218e-05% change)
linmin: converged after 5 iterations.
iteration 167: trace = 2.393061021480222 (2.74541e-05% change)
large trace change predicted (0.000104522%)
linmin: converged after 2 iterations.
iteration 168: trace = 2.393058520143947 (0.000104525% change)
linmin: converged after 24 iterations.
iteration 169: trace = 2.393057709799858 (3.38623e-05% change)
large trace change predicted (7.10287e-05%)
linmin: converged after 2 iterations.
iteration 170: trace = 2.393056009967242 (7.10319e-05% change)
linmin: converged after 3 iterations.
iteration 171: trace = 2.393055120382709 (3.71736e-05% change)
linmin: converged after 4 iterations.
iteration 172: trace = 2.39305443009403 (2.88455e-05% change)
linmin: converged after 4 iterations.
iteration 173: trace = 2.393053481007506 (3.96601e-05% change)
linmin: converged after 4 iterations.
iteration 174: trace = 2.393053249749623 (9.66372e-06% change)
large trace change predicted (3.40476e-05%)
linmin: converged after 3 iterations.
iteration 175: trace = 2.393052435010141 (3.4046e-05% change)
linmin: converged after 3 iterations.
iteration 176: trace = 2.393052257800338 (7.40518e-06% change)
large trace change predicted (2.80986e-05%)
linmin: converged after 3 iterations.
iteration 177: trace = 2.393051585401067 (2.8098e-05% change)
linmin: converged after 2 iterations.
iteration 178: trace = 2.393051363984962 (9.25246e-06% change)
linmin: converged after 3 iterations.
iteration 179: trace = 2.393051107935718 (1.06997e-05% change)
linmin: converged after 2 iterations.
iteration 180: trace = 2.393050898043621 (8.7709e-06% change)
linmin: converged after 21 iterations.
iteration 181: trace = 2.393050814413328 (3.49471e-06% change)
linmin: converged after 3 iterations.
iteration 182: trace = 2.39305067552257 (5.80392e-06% change)
linmin: converged after 6 iterations.
iteration 183: trace = 2.393050623327516 (2.18111e-06% change)
large trace change predicted (9.06864e-06%)
linmin: converged after 2 iterations.
iteration 184: trace = 2.393050406299146 (9.06911e-06% change)
linmin: converged after 5 iterations.
iteration 185: trace = 2.393050207172795 (8.32103e-06% change)
large trace change predicted (2.73197e-05%)
linmin: converged after 3 iterations.
iteration 186: trace = 2.393049553444872 (2.73178e-05% change)
linmin: converged after 4 iterations.
iteration 187: trace = 2.393049227524117 (1.36195e-05% change)
large trace change predicted (3.88734e-05%)
linmin: converged after 4 iterations.
iteration 188: trace = 2.393048297279782 (3.88728e-05% change)
linmin: converged after 4 iterations.
iteration 189: trace = 2.393047699063402 (2.49981e-05% change)
large trace change predicted (5.02132e-05%)
linmin: converged after 4 iterations.
iteration 190: trace = 2.393046497495106 (5.02108e-05% change)
linmin: converged after 3 iterations.
iteration 191: trace = 2.393045748889198 (3.12826e-05% change)
linmin: converged after 3 iterations.
iteration 192: trace = 2.393044915937652 (3.48072e-05% change)
linmin: converged after 3 iterations.
iteration 193: trace = 2.393044047539084 (3.62884e-05% change)
linmin: converged after 4 iterations.
iteration 194: trace = 2.393043875749431 (7.17871e-06% change)
large trace change predicted (1.50576e-05%)
linmin: converged after 2 iterations.
iteration 195: trace = 2.393043515402682 (1.50581e-05% change)
linmin: converged after 4 iterations.
iteration 196: trace = 2.393043462927638 (2.19282e-06% change)
large trace change predicted (4.43053e-06%)
linmin: converged after 2 iterations.
iteration 197: trace = 2.393043356901575 (4.4306e-06% change)
linmin: converged after 5 iterations.
iteration 198: trace = 2.393043311784036 (1.88536e-06% change)
linmin: converged after 3 iterations.
iteration 199: trace = 2.393043276761168 (1.46353e-06% change)
large trace change predicted (3.49352e-06%)
linmin: converged after 2 iterations.
iteration 200: trace = 2.393043193159225 (3.49354e-06% change)
linmin: converged after 8 iterations.
iteration 201: trace = 2.39304316328524 (1.24837e-06% change)
large trace change predicted (4.2649e-06%)
linmin: converged after 20 iterations.
iteration 202: trace = 2.39304306122494 (4.26488e-06% change)
linmin: converged after 2 iterations.
iteration 203: trace = 2.39304295381029 (4.48862e-06% change)
linmin: converged after 3 iterations.
iteration 204: trace = 2.39304284163176 (4.68769e-06% change)
linmin: converged after 2 iterations.
iteration 205: trace = 2.393042696903165 (6.04789e-06% change)
linmin: converged after 2 iterations.
iteration 206: trace = 2.393042617994168 (3.29743e-06% change)
linmin: converged after 2 iterations.
iteration 207: trace = 2.393042511897021 (4.43357e-06% change)
linmin: converged after 2 iterations.
iteration 208: trace = 2.393042426723516 (3.55921e-06% change)
linmin: converged after 11 iterations.
iteration 209: trace = 2.39304230116735 (5.24672e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 210: trace = 2.393042226468239 (3.12151e-06% change)
linmin: converged after 3 iterations.
iteration 211: trace = 2.393042168183205 (2.4356e-06% change)
linmin: converged after 3 iterations.
iteration 212: trace = 2.393042100191334 (2.84123e-06% change)
linmin: converged after 10 iterations.
iteration 213: trace = 2.393042061999979 (1.59593e-06% change)
linmin: converged after 2 iterations.
iteration 214: trace = 2.393041992212131 (2.91628e-06% change)
linmin: converged after 2 iterations.
iteration 215: trace = 2.393041942118815 (2.09329e-06% change)
linmin: converged after 26 iterations.
iteration 216: trace = 2.393041906870438 (1.47295e-06% change)
linmin: converged after 6 iterations.
iteration 217: trace = 2.393041867868708 (1.6298e-06% change)
linmin: converged after 3 iterations.
iteration 218: trace = 2.393041859358093 (3.5564e-07% change)
large trace change predicted (8.75587e-07%)
linmin: converged after 2 iterations.
iteration 219: trace = 2.393041838404728 (8.75595e-07% change)
linmin: converged after 2 iterations.
iteration 220: trace = 2.393041820457918 (7.49958e-07% change)
linmin: converged after 17 iterations.
iteration 221: trace = 2.39304181176659 (3.63192e-07% change)
large trace change predicted (9.76316e-07%)
linmin: converged after 2 iterations.
iteration 222: trace = 2.393041788402952 (9.76316e-07% change)
linmin: converged after 4 iterations.
iteration 223: trace = 2.393041774878442 (5.6516e-07% change)
large trace change predicted (2.14019e-06%)
linmin: converged after 21 iterations.
iteration 224: trace = 2.393041723663142 (2.14018e-06% change)
linmin: converged after 2 iterations.
iteration 225: trace = 2.393041671887843 (2.16358e-06% change)
linmin: converged after 2 iterations.
iteration 226: trace = 2.393041603467304 (2.85915e-06% change)
linmin: converged after 2 iterations.
iteration 227: trace = 2.393041515230374 (3.68723e-06% change)
linmin: converged after 2 iterations.
iteration 228: trace = 2.393041482455889 (1.36957e-06% change)
large trace change predicted (2.98102e-06%)
linmin: converged after 2 iterations.
iteration 229: trace = 2.393041411117911 (2.98106e-06% change)
linmin: converged after 3 iterations.
iteration 230: trace = 2.393041361388025 (2.0781e-06% change)
linmin: converged after 14 iterations.
iteration 231: trace = 2.393041330586436 (1.28713e-06% change)
linmin: converged after 2 iterations.
iteration 232: trace = 2.393041295243412 (1.47691e-06% change)
linmin: converged after 8 iterations.
iteration 233: trace = 2.393041278864061 (6.84458e-07% change)
linmin: converged after 2 iterations.
iteration 234: trace = 2.393041257500504 (8.92737e-07% change)
linmin: converged after 2 iterations.
iteration 235: trace = 2.393041246889093 (4.43428e-07% change)
linmin: converged after 3 iterations.
iteration 236: trace = 2.3930412310829 (6.60507e-07% change)
linmin: converged after 2 iterations.
iteration 237: trace = 2.393041215897756 (6.34554e-07% change)
linmin: converged after 6 iterations.
iteration 238: trace = 2.393041208005772 (3.29789e-07% change)
linmin: converged after 3 iterations.
iteration 239: trace = 2.393041193308563 (6.14164e-07% change)
linmin: converged after 3 iterations.
iteration 240: trace = 2.393041188389303 (2.05565e-07% change)
large trace change predicted (6.52311e-07%)
linmin: converged after 3 iterations.
iteration 241: trace = 2.393041172779269 (6.52309e-07% change)
linmin: converged after 22 iterations.
iteration 242: trace = 2.393041160100434 (5.29821e-07% change)
linmin: converged after 3 iterations.
iteration 243: trace = 2.39304114899997 (4.63864e-07% change)
large trace change predicted (1.29682e-06%)
linmin: converged after 2 iterations.
iteration 244: trace = 2.393041117966356 (1.29683e-06% change)
linmin: converged after 10 iterations.
iteration 245: trace = 2.393041107350222 (4.43625e-07% change)
large trace change predicted (2.50813e-06%)
linmin: converged after 2 iterations.
iteration 246: trace = 2.393041047329311 (2.50814e-06% change)
linmin: converged after 23 iterations.
iteration 247: trace = 2.393041020536951 (1.11959e-06% change)
large trace change predicted (4.42269e-06%)
linmin: converged after 3 iterations.
iteration 248: trace = 2.393040914700689 (4.42267e-06% change)
linmin: converged after 3 iterations.
iteration 249: trace = 2.393040855022179 (2.49384e-06% change)
linmin: converged after 2 iterations.
iteration 250: trace = 2.393040748463542 (4.45286e-06% change)
linmin: converged after 16 iterations.
iteration 251: trace = 2.393040710358679 (1.59232e-06% change)
linmin: converged after 3 iterations.
iteration 252: trace = 2.393040643295781 (2.80241e-06% change)
linmin: converged after 2 iterations.
iteration 253: trace = 2.39304061423221 (1.2145e-06% change)
linmin: converged after 2 iterations.
iteration 254: trace = 2.393040598418901 (6.60804e-07% change)
linmin: converged after 2 iterations.
iteration 255: trace = 2.393040577851683 (8.5946e-07% change)
linmin: converged after 4 iterations.
iteration 256: trace = 2.393040572705137 (2.15063e-07% change)
large trace change predicted (4.77152e-07%)
linmin: converged after 3 iterations.
iteration 257: trace = 2.393040561286761 (4.77149e-07% change)
linmin: converged after 3 iterations.
iteration 258: trace = 2.393040557290889 (1.66979e-07% change)
large trace change predicted (3.67111e-07%)
linmin: converged after 4 iterations.
iteration 259: trace = 2.393040548505703 (3.67114e-07% change)
linmin: converged after 9 iterations.
iteration 260: trace = 2.393040544262423 (1.77318e-07% change)
large trace change predicted (3.91366e-07%)
linmin: converged after 3 iterations.
iteration 261: trace = 2.393040534896974 (3.91362e-07% change)
linmin: converged after 2 iterations.
iteration 262: trace = 2.393040521294636 (5.68412e-07% change)
linmin: converged after 4 iterations.
iteration 263: trace = 2.393040516174779 (2.13948e-07% change)
large trace change predicted (7.08643e-07%)
linmin: converged after 2 iterations.
iteration 264: trace = 2.393040499216496 (7.0865e-07% change)
linmin: converged after 4 iterations.
iteration 265: trace = 2.393040491737621 (3.12526e-07% change)
large trace change predicted (7.22952e-07%)
linmin: converged after 27 iterations.
iteration 266: trace = 2.393040474437362 (7.22941e-07% change)
linmin: converged after 3 iterations.
iteration 267: trace = 2.393040462744822 (4.88606e-07% change)
linmin: converged after 2 iterations.
iteration 268: trace = 2.393040445604542 (7.16255e-07% change)
linmin: converged after 4 iterations.
iteration 269: trace = 2.393040421199894 (1.01982e-06% change)
linmin: converged after 10 iterations.
iteration 270: trace = 2.393040409601803 (4.84659e-07% change)
large trace change predicted (1.38722e-06%)
linmin: converged after 4 iterations.
iteration 271: trace = 2.39304037640564 (1.3872e-06% change)
linmin: converged after 21 iterations.
iteration 272: trace = 2.393040364852663 (4.82774e-07% change)
large trace change predicted (1.5673e-06%)
linmin: converged after 2 iterations.
iteration 273: trace = 2.393040327346475 (1.5673e-06% change)
linmin: converged after 4 iterations.
iteration 274: trace = 2.393040310364444 (7.09642e-07% change)
large trace change predicted (1.47613e-06%)
linmin: converged after 8 iterations.
iteration 275: trace = 2.393040275040153 (1.47613e-06% change)
linmin: converged after 3 iterations.
iteration 276: trace = 2.393040241114048 (1.4177e-06% change)
linmin: converged after 5 iterations.
iteration 277: trace = 2.393040200368841 (1.70265e-06% change)
linmin: converged after 3 iterations.
iteration 278: trace = 2.393040164587187 (1.49524e-06% change)
linmin: converged after 3 iterations.
iteration 279: trace = 2.393040143637449 (8.75445e-07% change)
resetting CG direction...
linmin: converged after 20 iterations.
iteration 280: trace = 2.393040123615926 (8.36656e-07% change)
linmin: converged after 26 iterations.
iteration 281: trace = 2.393040097254723 (1.10158e-06% change)
linmin: converged after 3 iterations.
iteration 282: trace = 2.393040080609036 (6.95587e-07% change)
linmin: converged after 3 iterations.
iteration 283: trace = 2.393040070023619 (4.42342e-07% change)
linmin: converged after 4 iterations.
iteration 284: trace = 2.39304005365244 (6.84116e-07% change)
linmin: converged after 3 iterations.
iteration 285: trace = 2.393040049252831 (1.8385e-07% change)
large trace change predicted (4.41918e-07%)
linmin: converged after 3 iterations.
iteration 286: trace = 2.393040038677494 (4.41921e-07% change)
linmin: converged after 2 iterations.
iteration 287: trace = 2.393040025509667 (5.50255e-07% change)
linmin: converged after 4 iterations.
iteration 288: trace = 2.393040019654107 (2.44691e-07% change)
large trace change predicted (5.17209e-07%)
linmin: converged after 2 iterations.
iteration 289: trace = 2.393040007277034 (5.17211e-07% change)
linmin: converged after 3 iterations.
iteration 290: trace = 2.393039997140364 (4.2359e-07% change)
linmin: converged after 3 iterations.
iteration 291: trace = 2.393039989962083 (2.99965e-07% change)
large trace change predicted (9.5808e-07%)
linmin: converged after 2 iterations.
iteration 292: trace = 2.393039967034778 (9.58083e-07% change)
linmin: converged after 19 iterations.
iteration 293: trace = 2.393039962769715 (1.78228e-07% change)
large trace change predicted (5.5828e-07%)
linmin: converged after 2 iterations.
iteration 294: trace = 2.393039949409854 (5.5828e-07% change)
linmin: converged after 2 iterations.
iteration 295: trace = 2.393039940301859 (3.80604e-07% change)
linmin: converged after 9 iterations.
iteration 296: trace = 2.393039934340293 (2.49121e-07% change)
large trace change predicted (7.05859e-07%)
linmin: converged after 2 iterations.
iteration 297: trace = 2.393039917448811 (7.05859e-07% change)
linmin: converged after 12 iterations.
iteration 298: trace = 2.393039910573973 (2.87285e-07% change)
large trace change predicted (8.63755e-07%)
linmin: converged after 2 iterations.
iteration 299: trace = 2.393039889903911 (8.63758e-07% change)
linmin: converged after 16 iterations.
iteration 300: trace = 2.393039883607988 (2.63093e-07% change)
linmin: converged after 4 iterations.
iteration 301: trace = 2.393039872341665 (4.70795e-07% change)
linmin: converged after 3 iterations.
iteration 302: trace = 2.393039868547251 (1.5856e-07% change)
linmin: converged after 2 iterations.
iteration 303: trace = 2.393039864622915 (1.6399e-07% change)
linmin: converged after 2 iterations.
iteration 304: trace = 2.393039861818064 (1.17209e-07% change)
linmin: converged after 3 iterations.
iteration 305: trace = 2.393039859681585 (8.92789e-08% change)
linmin: converged after 3 iterations.
iteration 306: trace = 2.393039858141666 (6.43499e-08% change)
large trace change predicted (1.59118e-07%)
linmin: converged after 2 iterations.
iteration 307: trace = 2.393039854333894 (1.59119e-07% change)
linmin: converged after 4 iterations.
iteration 308: trace = 2.393039852312407 (8.44736e-08% change)
large trace change predicted (2.45614e-07%)
linmin: converged after 3 iterations.
iteration 309: trace = 2.393039846434784 (2.45613e-07% change)
linmin: converged after 4 iterations.
iteration 310: trace = 2.393039842958436 (1.45269e-07% change)
large trace change predicted (4.00408e-07%)
linmin: converged after 26 iterations.
iteration 311: trace = 2.39303983337652 (4.00408e-07% change)
linmin: converged after 4 iterations.
iteration 312: trace = 2.393039827049448 (2.64395e-07% change)
large trace change predicted (6.2286e-07%)
linmin: converged after 4 iterations.
iteration 313: trace = 2.39303981214422 (6.22857e-07% change)
linmin: converged after 2 iterations.
iteration 314: trace = 2.393039803193084 (3.74049e-07% change)
large trace change predicted (8.47055e-07%)
linmin: converged after 2 iterations.
iteration 315: trace = 2.393039782922678 (8.47057e-07% change)
linmin: converged after 2 iterations.
iteration 316: trace = 2.393039775919828 (2.92634e-07% change)
large trace change predicted (6.03112e-07%)
linmin: converged after 3 iterations.
iteration 317: trace = 2.393039761487149 (6.03111e-07% change)
linmin: converged after 2 iterations.
iteration 318: trace = 2.393039757974968 (1.46766e-07% change)
linmin: converged after 2 iterations.
iteration 319: trace = 2.393039751324605 (2.77904e-07% change)
linmin: converged after 4 iterations.
iteration 320: trace = 2.393039746925592 (1.83825e-07% change)
linmin: converged after 6 iterations.
iteration 321: trace = 2.393039741642429 (2.20772e-07% change)
linmin: converged after 2 iterations.
iteration 322: trace = 2.393039739594184 (8.55918e-08% change)
linmin: converged after 6 iterations.
iteration 323: trace = 2.393039736297653 (1.37755e-07% change)
linmin: converged after 4 iterations.
iteration 324: trace = 2.393039734616863 (7.02366e-08% change)
linmin: converged after 2 iterations.
iteration 325: trace = 2.393039732482706 (8.91818e-08% change)
linmin: converged after 2 iterations.
iteration 326: trace = 2.393039730474012 (8.3939e-08% change)
linmin: converged after 28 iterations.
iteration 327: trace = 2.393039729541427 (3.89707e-08% change)
large trace change predicted (1.25479e-07%)
linmin: converged after 2 iterations.
iteration 328: trace = 2.393039726538658 (1.25479e-07% change)
linmin: converged after 5 iterations.
iteration 329: trace = 2.393039725259905 (5.34363e-08% change)
large trace change predicted (1.08967e-07%)
linmin: converged after 3 iterations.
iteration 330: trace = 2.393039722652271 (1.08967e-07% change)
linmin: converged after 4 iterations.
iteration 331: trace = 2.393039720055134 (1.08529e-07% change)
linmin: converged after 4 iterations.
iteration 332: trace = 2.39303971821311 (7.69742e-08% change)
large trace change predicted (1.65289e-07%)
linmin: converged after 4 iterations.
iteration 333: trace = 2.393039714257687 (1.65289e-07% change)
linmin: converged after 4 iterations.
iteration 334: trace = 2.393039711455557 (1.17095e-07% change)
large trace change predicted (4.35667e-07%)
linmin: converged after 3 iterations.
iteration 335: trace = 2.393039701029889 (4.35666e-07% change)
linmin: converged after 6 iterations.
iteration 336: trace = 2.39303969414832 (2.87566e-07% change)
large trace change predicted (6.18633e-07%)
linmin: converged after 3 iterations.
iteration 337: trace = 2.393039679344427 (6.18623e-07% change)
linmin: converged after 3 iterations.
iteration 338: trace = 2.393039665738685 (5.68555e-07% change)
linmin: converged after 2 iterations.
iteration 339: trace = 2.393039658024705 (3.22351e-07% change)
linmin: converged after 14 iterations.
iteration 340: trace = 2.393039648022045 (4.1799e-07% change)
linmin: converged after 3 iterations.
iteration 341: trace = 2.393039645279689 (1.14597e-07% change)
linmin: converged after 2 iterations.
iteration 342: trace = 2.393039639860686 (2.26449e-07% change)
linmin: converged after 2 iterations.
iteration 343: trace = 2.393039638614395 (5.20798e-08% change)
large trace change predicted (1.33225e-07%)
linmin: converged after 31 iterations.
iteration 344: trace = 2.393039635426273 (1.33225e-07% change)
linmin: converged after 2 iterations.
iteration 345: trace = 2.393039634396342 (4.30386e-08% change)
large trace change predicted (2.76744e-07%)
linmin: converged after 2 iterations.
iteration 346: trace = 2.393039627773743 (2.76744e-07% change)
linmin: converged after 2 iterations.
iteration 347: trace = 2.393039623939238 (1.60236e-07% change)
linmin: converged after 4 iterations.
iteration 348: trace = 2.393039620653532 (1.37303e-07% change)
linmin: converged after 6 iterations.
iteration 349: trace = 2.393039619165641 (6.21758e-08% change)
resetting CG direction...
linmin: converged after 10 iterations.
iteration 350: trace = 2.39303961742302 (7.28204e-08% change)
linmin: converged after 4 iterations.
iteration 351: trace = 2.393039616584213 (3.50519e-08% change)
large trace change predicted (1.07232e-07%)
linmin: converged after 2 iterations.
iteration 352: trace = 2.393039614018103 (1.07232e-07% change)
linmin: converged after 3 iterations.
iteration 353: trace = 2.393039612067748 (8.15011e-08% change)
linmin: converged after 8 iterations.
iteration 354: trace = 2.393039610485067 (6.61369e-08% change)
large trace change predicted (1.6085e-07%)
linmin: converged after 2 iterations.
iteration 355: trace = 2.393039606635865 (1.6085e-07% change)
linmin: converged after 3 iterations.
iteration 356: trace = 2.393039604999336 (6.8387e-08% change)
large trace change predicted (2.15251e-07%)
linmin: converged after 2 iterations.
iteration 357: trace = 2.393039599848283 (2.15252e-07% change)
linmin: converged after 3 iterations.
iteration 358: trace = 2.393039595199832 (1.94249e-07% change)
linmin: converged after 2 iterations.
iteration 359: trace = 2.393039590728982 (1.86827e-07% change)
large trace change predicted (3.76711e-07%)
linmin: converged after 2 iterations.
iteration 360: trace = 2.393039581714138 (3.76711e-07% change)
linmin: converged after 3 iterations.
iteration 361: trace = 2.393039579624308 (8.73295e-08% change)
large trace change predicted (3.15035e-07%)
linmin: converged after 3 iterations.
iteration 362: trace = 2.393039572085427 (3.15034e-07% change)
linmin: converged after 4 iterations.
iteration 363: trace = 2.393039569195385 (1.20769e-07% change)
linmin: converged after 24 iterations.
iteration 364: trace = 2.393039567347576 (7.7216e-08% change)
linmin: converged after 3 iterations.
iteration 365: trace = 2.393039564256501 (1.29169e-07% change)
linmin: converged after 3 iterations.
iteration 366: trace = 2.393039562988934 (5.29689e-08% change)
linmin: converged after 2 iterations.
iteration 367: trace = 2.393039560578459 (1.00729e-07% change)
linmin: converged after 2 iterations.
iteration 368: trace = 2.393039558922604 (6.91947e-08% change)
linmin: converged after 26 iterations.
iteration 369: trace = 2.393039557927479 (4.15841e-08% change)
linmin: converged after 3 iterations.
iteration 370: trace = 2.393039556595693 (5.56525e-08% change)
linmin: converged after 3 iterations.
iteration 371: trace = 2.393039555890322 (2.94759e-08% change)
linmin: converged after 3 iterations.
iteration 372: trace = 2.393039554797251 (4.56771e-08% change)
linmin: converged after 4 iterations.
iteration 373: trace = 2.393039554116998 (2.84263e-08% change)
linmin: converged after 4 iterations.
iteration 374: trace = 2.393039553586225 (2.21799e-08% change)
linmin: converged after 2 iterations.
iteration 375: trace = 2.393039552816456 (3.2167e-08% change)
linmin: converged after 14 iterations.
iteration 376: trace = 2.393039552509962 (1.28077e-08% change)
large trace change predicted (3.80158e-08%)
linmin: converged after 20 iterations.
iteration 377: trace = 2.39303955160023 (3.80157e-08% change)
linmin: converged after 4 iterations.
iteration 378: trace = 2.393039550102957 (6.25678e-08% change)
linmin: converged after 2 iterations.
iteration 379: trace = 2.393039547896684 (9.21954e-08% change)
large trace change predicted (2.08605e-07%)
linmin: converged after 13 iterations.
iteration 380: trace = 2.393039542904686 (2.08605e-07% change)
linmin: converged after 13 iterations.
iteration 381: trace = 2.393039540914833 (8.31517e-08% change)
large trace change predicted (2.68473e-07%)
linmin: converged after 2 iterations.
iteration 382: trace = 2.393039534490165 (2.68473e-07% change)
linmin: converged after 3 iterations.
iteration 383: trace = 2.393039531743482 (1.14778e-07% change)
linmin: converged after 4 iterations.
iteration 384: trace = 2.393039529022216 (1.13716e-07% change)
linmin: converged after 2 iterations.
iteration 385: trace = 2.3930395266464 (9.92803e-08% change)
linmin: converged after 2 iterations.
iteration 386: trace = 2.393039525621313 (4.28362e-08% change)
linmin: converged after 4 iterations.
iteration 387: trace = 2.39303952381167 (7.56211e-08% change)
linmin: converged after 3 iterations.
iteration 388: trace = 2.393039522544793 (5.29401e-08% change)
linmin: converged after 30 iterations.
iteration 389: trace = 2.393039521254976 (5.38987e-08% change)
linmin: converged after 3 iterations.
iteration 390: trace = 2.393039520146193 (4.63337e-08% change)
linmin: converged after 3 iterations.
iteration 391: trace = 2.393039519641123 (2.11058e-08% change)
linmin: converged after 2 iterations.
iteration 392: trace = 2.39303951876411 (3.66485e-08% change)
linmin: converged after 4 iterations.
iteration 393: trace = 2.393039518111734 (2.72614e-08% change)
linmin: converged after 3 iterations.
iteration 394: trace = 2.393039516866131 (5.20511e-08% change)
linmin: converged after 2 iterations.
iteration 395: trace = 2.393039515556683 (5.47191e-08% change)
linmin: converged after 4 iterations.
iteration 396: trace = 2.393039514609391 (3.95853e-08% change)
linmin: converged after 3 iterations.
iteration 397: trace = 2.39303951301477 (6.66358e-08% change)
linmin: converged after 20 iterations.
iteration 398: trace = 2.393039512204096 (3.38763e-08% change)
large trace change predicted (7.80343e-08%)
linmin: converged after 2 iterations.
iteration 399: trace = 2.393039510336703 (7.80344e-08% change)
linmin: converged after 26 iterations.
iteration 400: trace = 2.393039507857176 (1.03614e-07% change)
linmin: converged after 2 iterations.
iteration 401: trace = 2.393039504890569 (1.23968e-07% change)
linmin: converged after 4 iterations.
iteration 402: trace = 2.393039501464116 (1.43184e-07% change)
linmin: converged after 4 iterations.
iteration 403: trace = 2.393039499809577 (6.91397e-08% change)
linmin: converged after 2 iterations.
iteration 404: trace = 2.393039497448843 (9.865e-08% change)
linmin: converged after 3 iterations.
iteration 405: trace = 2.393039496945668 (2.10266e-08% change)
large trace change predicted (4.54251e-08%)
linmin: converged after 2 iterations.
iteration 406: trace = 2.393039495858626 (4.54252e-08% change)
linmin: converged after 2 iterations.
iteration 407: trace = 2.393039495176422 (2.85078e-08% change)
linmin: converged after 3 iterations.
iteration 408: trace = 2.393039494649704 (2.20104e-08% change)
linmin: converged after 4 iterations.
iteration 409: trace = 2.393039493868053 (3.26635e-08% change)
linmin: converged after 3 iterations.
iteration 410: trace = 2.393039493522389 (1.44446e-08% change)
large trace change predicted (6.70969e-08%)
linmin: converged after 2 iterations.
iteration 411: trace = 2.393039491916734 (6.70969e-08% change)
linmin: converged after 4 iterations.
iteration 412: trace = 2.393039491319515 (2.49565e-08% change)
large trace change predicted (6.36703e-08%)
linmin: converged after 4 iterations.
iteration 413: trace = 2.393039489795858 (6.36704e-08% change)
linmin: converged after 6 iterations.
iteration 414: trace = 2.393039487678044 (8.84989e-08% change)
linmin: converged after 4 iterations.
iteration 415: trace = 2.393039484497585 (1.32905e-07% change)
linmin: converged after 3 iterations.
iteration 416: trace = 2.393039482872291 (6.79176e-08% change)
linmin: converged after 3 iterations.
iteration 417: trace = 2.393039480048833 (1.17986e-07% change)
linmin: converged after 2 iterations.
iteration 418: trace = 2.393039477503596 (1.0636e-07% change)
linmin: converged after 16 iterations.
iteration 419: trace = 2.393039475639136 (7.79118e-08% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 420: trace = 2.393039474206179 (5.98802e-08% change)
linmin: converged after 4 iterations.
iteration 421: trace = 2.393039473025051 (4.93568e-08% change)
large trace change predicted (1.06788e-07%)
linmin: converged after 4 iterations.
iteration 422: trace = 2.393039470469564 (1.06788e-07% change)
linmin: converged after 2 iterations.
iteration 423: trace = 2.393039469730116 (3.08999e-08% change)
large trace change predicted (1.1525e-07%)
linmin: converged after 4 iterations.
iteration 424: trace = 2.393039466972132 (1.1525e-07% change)
linmin: converged after 33 iterations.
iteration 425: trace = 2.393039466365175 (2.53634e-08% change)
large trace change predicted (5.87761e-08%)
linmin: converged after 20 iterations.
iteration 426: trace = 2.393039464958636 (5.87763e-08% change)
linmin: converged after 4 iterations.
iteration 427: trace = 2.393039464510041 (1.87458e-08% change)
linmin: converged after 2 iterations.
iteration 428: trace = 2.393039463783371 (3.0366e-08% change)
linmin: converged after 2 iterations.
iteration 429: trace = 2.393039463425579 (1.49514e-08% change)
linmin: converged after 4 iterations.
iteration 430: trace = 2.393039463222805 (8.47348e-09% change)
large trace change predicted (1.98327e-08%)
linmin: converged after 4 iterations.
iteration 431: trace = 2.393039462748201 (1.98327e-08% change)
linmin: converged after 27 iterations.
iteration 432: trace = 2.393039462643557 (4.37282e-09% change)
large trace change predicted (2.68203e-08%)
linmin: converged after 2 iterations.
iteration 433: trace = 2.393039462001738 (2.68202e-08% change)
linmin: converged after 11 iterations.
iteration 434: trace = 2.393039461780953 (9.22616e-09% change)
large trace change predicted (2.79408e-08%)
linmin: converged after 3 iterations.
iteration 435: trace = 2.393039461112321 (2.79407e-08% change)
linmin: converged after 3 iterations.
iteration 436: trace = 2.393039460215512 (3.74757e-08% change)
linmin: converged after 2 iterations.
iteration 437: trace = 2.393039459745538 (1.96392e-08% change)
large trace change predicted (7.14002e-08%)
linmin: converged after 25 iterations.
iteration 438: trace = 2.393039458036904 (7.14002e-08% change)
linmin: converged after 22 iterations.
iteration 439: trace = 2.393039457666539 (1.54768e-08% change)
large trace change predicted (4.77735e-08%)
linmin: converged after 2 iterations.
iteration 440: trace = 2.393039456523302 (4.77734e-08% change)
linmin: converged after 4 iterations.
iteration 441: trace = 2.393039456339768 (7.66948e-09% change)
large trace change predicted (2.03303e-08%)
linmin: converged after 3 iterations.
iteration 442: trace = 2.393039455853257 (2.03302e-08% change)
linmin: converged after 3 iterations.
iteration 443: trace = 2.393039455603808 (1.04239e-08% change)
linmin: converged after 2 iterations.
iteration 444: trace = 2.39303945522596 (1.57895e-08% change)
linmin: converged after 2 iterations.
iteration 445: trace = 2.393039454896127 (1.3783e-08% change)
linmin: converged after 16 iterations.
iteration 446: trace = 2.393039454711662 (7.70837e-09% change)
linmin: converged after 5 iterations.
iteration 447: trace = 2.393039454394383 (1.32584e-08% change)
linmin: converged after 3 iterations.
iteration 448: trace = 2.393039454238335 (6.52091e-09% change)
linmin: converged after 4 iterations.
iteration 449: trace = 2.393039453999304 (9.98861e-09% change)
linmin: converged after 23 iterations.
iteration 450: trace = 2.393039453869241 (5.43504e-09% change)
large trace change predicted (1.63584e-08%)
linmin: converged after 2 iterations.
iteration 451: trace = 2.393039453477778 (1.63584e-08% change)
linmin: converged after 3 iterations.
iteration 452: trace = 2.393039453348103 (5.41884e-09% change)
large trace change predicted (1.64474e-08%)
linmin: converged after 2 iterations.
iteration 453: trace = 2.393039452954508 (1.64475e-08% change)
linmin: converged after 3 iterations.
iteration 454: trace = 2.393039452819819 (5.62837e-09% change)
large trace change predicted (2.24653e-08%)
linmin: converged after 4 iterations.
iteration 455: trace = 2.39303945228222 (2.24651e-08% change)
linmin: converged after 19 iterations.
iteration 456: trace = 2.39303945199613 (1.19551e-08% change)
large trace change predicted (2.58022e-08%)
linmin: converged after 4 iterations.
iteration 457: trace = 2.393039451378675 (2.58021e-08% change)
linmin: converged after 3 iterations.
iteration 458: trace = 2.393039450707573 (2.80439e-08% change)
linmin: converged after 6 iterations.
iteration 459: trace = 2.393039450162363 (2.27831e-08% change)
large trace change predicted (4.81083e-08%)
linmin: converged after 3 iterations.
iteration 460: trace = 2.393039449011113 (4.81083e-08% change)
linmin: converged after 4 iterations.
iteration 461: trace = 2.393039448761103 (1.04474e-08% change)
linmin: converged after 3 iterations.
iteration 462: trace = 2.393039448275103 (2.03089e-08% change)
linmin: converged after 2 iterations.
iteration 463: trace = 2.39303944809994 (7.31969e-09% change)
linmin: converged after 2 iterations.
iteration 464: trace = 2.393039448016191 (3.49967e-09% change)
linmin: converged after 3 iterations.
iteration 465: trace = 2.393039447902463 (4.75244e-09% change)
linmin: converged after 3 iterations.
iteration 466: trace = 2.393039447842428 (2.50876e-09% change)
linmin: converged after 2 iterations.
iteration 467: trace = 2.393039447760849 (3.409e-09% change)
linmin: converged after 2 iterations.
iteration 468: trace = 2.393039447613777 (6.14585e-09% change)
linmin: converged after 4 iterations.
iteration 469: trace = 2.39303944754306 (2.95508e-09% change)
large trace change predicted (8.63194e-09%)
linmin: converged after 2 iterations.
iteration 470: trace = 2.393039447336494 (8.63195e-09% change)
linmin: converged after 13 iterations.
iteration 471: trace = 2.393039447185928 (6.29186e-09% change)
linmin: converged after 3 iterations.
iteration 472: trace = 2.393039447053844 (5.51951e-09% change)
large trace change predicted (1.36633e-08%)
linmin: converged after 3 iterations.
iteration 473: trace = 2.393039446726879 (1.36632e-08% change)
linmin: converged after 17 iterations.
iteration 474: trace = 2.393039446615982 (4.63413e-09% change)
large trace change predicted (1.42315e-08%)
linmin: converged after 2 iterations.
iteration 475: trace = 2.393039446275415 (1.42316e-08% change)
linmin: converged after 8 iterations.
iteration 476: trace = 2.393039446089102 (7.78561e-09% change)
linmin: converged after 3 iterations.
iteration 477: trace = 2.393039445784855 (1.27138e-08% change)
linmin: converged after 16 iterations.
iteration 478: trace = 2.39303944540156 (1.60171e-08% change)
linmin: converged after 2 iterations.
iteration 479: trace = 2.393039445156301 (1.02488e-08% change)
large trace change predicted (2.74501e-08%)
linmin: converged after 2 iterations.
iteration 480: trace = 2.39303944449941 (2.74501e-08% change)
linmin: converged after 3 iterations.
iteration 481: trace = 2.393039444279885 (9.17349e-09% change)
large trace change predicted (3.18263e-08%)
linmin: converged after 3 iterations.
iteration 482: trace = 2.39303944351827 (3.18262e-08% change)
linmin: converged after 2 iterations.
iteration 483: trace = 2.393039443333255 (7.7314e-09% change)
linmin: converged after 2 iterations.
iteration 484: trace = 2.393039443004228 (1.37493e-08% change)
linmin: converged after 3 iterations.
iteration 485: trace = 2.39303944267546 (1.37385e-08% change)
linmin: converged after 7 iterations.
iteration 486: trace = 2.393039442608175 (2.81171e-09% change)
large trace change predicted (8.9904e-09%)
linmin: converged after 3 iterations.
iteration 487: trace = 2.393039442393032 (8.99037e-09% change)
linmin: converged after 4 iterations.
iteration 488: trace = 2.393039442342964 (2.09225e-09% change)
large trace change predicted (4.34127e-09%)
linmin: converged after 3 iterations.
iteration 489: trace = 2.393039442239075 (4.34126e-09% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 490: trace = 2.393039442184964 (2.2612e-09% change)
linmin: converged after 6 iterations.
iteration 491: trace = 2.393039442161027 (1.00029e-09% change)
large trace change predicted (5.6857e-09%)
linmin: converged after 2 iterations.
iteration 492: trace = 2.393039442024966 (5.6857e-09% change)
linmin: converged after 9 iterations.
iteration 493: trace = 2.393039441872982 (6.35109e-09% change)
linmin: converged after 16 iterations.
iteration 494: trace = 2.393039441701082 (7.18331e-09% change)
large trace change predicted (1.56833e-08%)
linmin: converged after 3 iterations.
iteration 495: trace = 2.393039441325779 (1.56831e-08% change)
linmin: converged after 4 iterations.
iteration 496: trace = 2.393039441211788 (4.76344e-09% change)
large trace change predicted (1.48522e-08%)
linmin: converged after 2 iterations.
iteration 497: trace = 2.39303944085637 (1.48522e-08% change)
linmin: converged after 4 iterations.
iteration 498: trace = 2.393039440598281 (1.0785e-08% change)
linmin: converged after 2 iterations.
iteration 499: trace = 2.393039440345882 (1.05472e-08% change)
linmin: converged after 2 iterations.
iteration 500: trace = 2.393039439935951 (1.71301e-08% change)
linmin: converged after 4 iterations.
iteration 501: trace = 2.393039439851639 (3.5232e-09% change)
large trace change predicted (1.40842e-08%)
linmin: converged after 2 iterations.
iteration 502: trace = 2.393039439514599 (1.40842e-08% change)
linmin: converged after 24 iterations.
iteration 503: trace = 2.393039439403548 (4.64057e-09% change)
linmin: converged after 4 iterations.
iteration 504: trace = 2.393039439285229 (4.94428e-09% change)
linmin: converged after 15 iterations.
iteration 505: trace = 2.39303943914652 (5.79639e-09% change)
linmin: converged after 3 iterations.
iteration 506: trace = 2.393039439086246 (2.5187e-09% change)
linmin: converged after 26 iterations.
iteration 507: trace = 2.393039438988198 (4.09721e-09% change)
linmin: converged after 21 iterations.
iteration 508: trace = 2.393039438878307 (4.59212e-09% change)
linmin: converged after 16 iterations.
iteration 509: trace = 2.393039438841224 (1.54961e-09% change)
large trace change predicted (3.22965e-09%)
linmin: converged after 5 iterations.
iteration 510: trace = 2.393039438763937 (3.22966e-09% change)
linmin: converged after 16 iterations.
iteration 511: trace = 2.393039438733785 (1.26e-09% change)
linmin: converged after 4 iterations.
iteration 512: trace = 2.39303943870912 (1.03069e-09% change)
linmin: converged after 13 iterations.
iteration 513: trace = 2.39303943866326 (1.9164e-09% change)
linmin: converged after 4 iterations.
iteration 514: trace = 2.393039438644809 (7.71029e-10% change)
large trace change predicted (5.05109e-09%)
linmin: converged after 5 iterations.
iteration 515: trace = 2.393039438523934 (5.05108e-09% change)
linmin: converged after 12 iterations.
iteration 516: trace = 2.393039438469422 (2.27797e-09% change)
large trace change predicted (7.15725e-09%)
linmin: converged after 2 iterations.
iteration 517: trace = 2.393039438298146 (7.15723e-09% change)
linmin: converged after 4 iterations.
iteration 518: trace = 2.393039438014125 (1.18686e-08% change)
linmin: converged after 4 iterations.
iteration 519: trace = 2.393039437872779 (5.90657e-09% change)
linmin: converged after 4 iterations.
iteration 520: trace = 2.393039437655179 (9.09303e-09% change)
linmin: converged after 4 iterations.
iteration 521: trace = 2.393039437520089 (5.64515e-09% change)
linmin: converged after 4 iterations.
iteration 522: trace = 2.393039437297263 (9.31141e-09% change)
linmin: converged after 3 iterations.
iteration 523: trace = 2.393039437156936 (5.86396e-09% change)
linmin: converged after 24 iterations.
iteration 524: trace = 2.393039437085292 (2.99385e-09% change)
linmin: converged after 4 iterations.
iteration 525: trace = 2.39303943695845 (5.30046e-09% change)
linmin: converged after 15 iterations.
iteration 526: trace = 2.393039436914609 (1.83202e-09% change)
linmin: converged after 4 iterations.
iteration 527: trace = 2.393039436843865 (2.95622e-09% change)
linmin: converged after 6 iterations.
iteration 528: trace = 2.39303943673263 (4.64831e-09% change)
linmin: converged after 3 iterations.
iteration 529: trace = 2.393039436690799 (1.74801e-09% change)
linmin: converged after 8 iterations.
iteration 530: trace = 2.393039436620647 (2.9315e-09% change)
linmin: converged after 4 iterations.
iteration 531: trace = 2.393039436598385 (9.30289e-10% change)
large trace change predicted (2.96243e-09%)
linmin: converged after 3 iterations.
iteration 532: trace = 2.393039436527491 (2.96249e-09% change)
linmin: converged after 3 iterations.
iteration 533: trace = 2.393039436461807 (2.74481e-09% change)
linmin: converged after 4 iterations.
iteration 534: trace = 2.393039436424172 (1.5727e-09% change)
large trace change predicted (6.00559e-09%)
linmin: converged after 4 iterations.
iteration 535: trace = 2.393039436280454 (6.00566e-09% change)
linmin: converged after 4 iterations.
iteration 536: trace = 2.39303943618887 (3.82708e-09% change)
linmin: converged after 3 iterations.
iteration 537: trace = 2.393039436036807 (6.35442e-09% change)
linmin: converged after 2 iterations.
iteration 538: trace = 2.393039435794245 (1.01361e-08% change)
linmin: converged after 3 iterations.
iteration 539: trace = 2.393039435700735 (3.90757e-09% change)
linmin: converged after 3 iterations.
iteration 540: trace = 2.393039435531811 (7.05899e-09% change)
linmin: converged after 2 iterations.
iteration 541: trace = 2.393039435466259 (2.73924e-09% change)
linmin: converged after 4 iterations.
iteration 542: trace = 2.39303943534544 (5.04878e-09% change)
linmin: converged after 4 iterations.
iteration 543: trace = 2.393039435298291 (1.97027e-09% change)
linmin: converged after 4 iterations.
iteration 544: trace = 2.393039435255517 (1.78742e-09% change)
linmin: converged after 8 iterations.
iteration 545: trace = 2.39303943522729 (1.17955e-09% change)
linmin: converged after 2 iterations.
iteration 546: trace = 2.393039435188424 (1.62412e-09% change)
linmin: converged after 8 iterations.
iteration 547: trace = 2.393039435167712 (8.65505e-10% change)
linmin: converged after 9 iterations.
iteration 548: trace = 2.39303943512799 (1.65992e-09% change)
large trace change predicted (3.40801e-09%)
linmin: converged after 4 iterations.
iteration 549: trace = 2.393039435046433 (3.40809e-09% change)
linmin: converged after 4 iterations.
iteration 550: trace = 2.393039435014659 (1.32774e-09% change)
large trace change predicted (6.842e-09%)
linmin: converged after 23 iterations.
iteration 551: trace = 2.393039434850928 (6.842e-09% change)
linmin: converged after 2 iterations.
iteration 552: trace = 2.393039434782558 (2.85703e-09% change)
large trace change predicted (8.70625e-09%)
linmin: converged after 5 iterations.
iteration 553: trace = 2.393039434574214 (8.70625e-09% change)
linmin: converged after 4 iterations.
iteration 554: trace = 2.393039434517141 (2.38494e-09% change)
large trace change predicted (5.79028e-09%)
linmin: converged after 2 iterations.
iteration 555: trace = 2.393039434378577 (5.7903e-09% change)
linmin: converged after 21 iterations.
iteration 556: trace = 2.393039434298211 (3.35832e-09% change)
large trace change predicted (7.26483e-09%)
linmin: converged after 4 iterations.
iteration 557: trace = 2.393039434124362 (7.26478e-09% change)
linmin: converged after 3 iterations.
iteration 558: trace = 2.393039433935333 (7.89913e-09% change)
large trace change predicted (1.666e-08%)
linmin: converged after 3 iterations.
iteration 559: trace = 2.39303943353665 (1.66601e-08% change)
resetting CG direction...
linmin: converged after 14 iterations.
iteration 560: trace = 2.393039433352452 (7.69724e-09% change)
linmin: converged after 3 iterations.
iteration 561: trace = 2.393039433201853 (6.29321e-09% change)
linmin: converged after 3 iterations.
iteration 562: trace = 2.39303943305918 (5.96198e-09% change)
linmin: converged after 3 iterations.
iteration 563: trace = 2.393039433019592 (1.65429e-09% change)
large trace change predicted (3.65671e-09%)
linmin: converged after 2 iterations.
iteration 564: trace = 2.393039432932085 (3.65674e-09% change)
linmin: converged after 2 iterations.
iteration 565: trace = 2.393039432890817 (1.72448e-09% change)
linmin: converged after 4 iterations.
iteration 566: trace = 2.393039432826563 (2.68503e-09% change)
linmin: converged after 2 iterations.
iteration 567: trace = 2.393039432795364 (1.30374e-09% change)
linmin: converged after 3 iterations.
iteration 568: trace = 2.393039432748506 (1.95812e-09% change)
linmin: converged after 5 iterations.
iteration 569: trace = 2.393039432732972 (6.49143e-10% change)
linmin: converged after 4 iterations.
iteration 570: trace = 2.393039432704891 (1.17345e-09% change)
linmin: converged after 3 iterations.
iteration 571: trace = 2.393039432689627 (6.37841e-10% change)
linmin: converged after 4 iterations.
iteration 572: trace = 2.393039432677676 (4.99383e-10% change)
linmin: converged after 4 iterations.
iteration 573: trace = 2.393039432665824 (4.95264e-10% change)
linmin: converged after 2 iterations.
iteration 574: trace = 2.393039432659203 (2.76711e-10% change)
linmin: converged after 4 iterations.
iteration 575: trace = 2.393039432647236 (5.00051e-10% change)
linmin: converged after 4 iterations.
iteration 576: trace = 2.393039432638745 (3.54839e-10% change)
large trace change predicted (7.3409e-10%)
linmin: converged after 7 iterations.
iteration 577: trace = 2.39303943262118 (7.34006e-10% change)
linmin: converged after 15 iterations.
iteration 578: trace = 2.393039432603238 (7.49725e-10% change)
linmin: converged after 17 iterations.
iteration 579: trace = 2.393039432570474 (1.36914e-09% change)
linmin: converged after 18 iterations.
iteration 580: trace = 2.393039432553994 (6.8867e-10% change)
large trace change predicted (2.12314e-09%)
linmin: converged after 3 iterations.
iteration 581: trace = 2.393039432503187 (2.12313e-09% change)
linmin: converged after 13 iterations.
iteration 582: trace = 2.393039432480832 (9.34186e-10% change)
linmin: converged after 4 iterations.
iteration 583: trace = 2.393039432452084 (1.2013e-09% change)
linmin: converged after 4 iterations.
iteration 584: trace = 2.393039432424392 (1.15719e-09% change)
linmin: converged after 3 iterations.
iteration 585: trace = 2.393039432407845 (6.91435e-10% change)
linmin: converged after 2 iterations.
iteration 586: trace = 2.393039432382961 (1.03985e-09% change)
linmin: converged after 7 iterations.
iteration 587: trace = 2.393039432366514 (6.87316e-10% change)
linmin: converged after 3 iterations.
iteration 588: trace = 2.393039432345494 (8.78384e-10% change)
linmin: converged after 14 iterations.
iteration 589: trace = 2.393039432339349 (2.56762e-10% change)
large trace change predicted (5.89427e-10%)
linmin: converged after 3 iterations.
iteration 590: trace = 2.39303943232524 (5.89573e-10% change)
linmin: converged after 9 iterations.
iteration 591: trace = 2.393039432320826 (1.84462e-10% change)
large trace change predicted (3.69118e-10%)
linmin: converged after 6 iterations.
iteration 592: trace = 2.393039432311989 (3.69276e-10% change)
linmin: converged after 3 iterations.
iteration 593: trace = 2.393039432305279 (2.80423e-10% change)
linmin: converged after 3 iterations.
iteration 594: trace = 2.393039432295434 (4.11365e-10% change)
linmin: converged after 4 iterations.
iteration 595: trace = 2.393039432281389 (5.86938e-10% change)
linmin: converged after 6 iterations.
iteration 596: trace = 2.393039432276467 (2.05692e-10% change)
large trace change predicted (7.85524e-10%)
linmin: converged after 3 iterations.
iteration 597: trace = 2.39303943225767 (7.85485e-10% change)
linmin: converged after 9 iterations.
iteration 598: trace = 2.393039432252615 (2.11222e-10% change)
large trace change predicted (8.39976e-10%)
linmin: converged after 3 iterations.
iteration 599: trace = 2.393039432232515 (8.39951e-10% change)
linmin: converged after 6 iterations.
iteration 600: trace = 2.393039432226268 (2.6103e-10% change)
large trace change predicted (9.03088e-10%)
linmin: converged after 2 iterations.
iteration 601: trace = 2.39303943220466 (9.02936e-10% change)
linmin: converged after 3 iterations.
iteration 602: trace = 2.393039432189016 (6.53764e-10% change)
linmin: converged after 2 iterations.
iteration 603: trace = 2.393039432166445 (9.43168e-10% change)
linmin: converged after 3 iterations.
iteration 604: trace = 2.39303943213833 (1.17488e-09% change)
linmin: converged after 2 iterations.
iteration 605: trace = 2.393039432120859 (7.30091e-10% change)
linmin: converged after 7 iterations.
iteration 606: trace = 2.393039432093853 (1.1285e-09% change)
linmin: converged after 7 iterations.
iteration 607: trace = 2.393039432086923 (2.8959e-10% change)
linmin: converged after 2 iterations.
iteration 608: trace = 2.393039432075805 (4.64607e-10% change)
linmin: converged after 7 iterations.
iteration 609: trace = 2.393039432071387 (1.84592e-10% change)
linmin: converged after 5 iterations.
iteration 610: trace = 2.393039432065358 (2.51974e-10% change)
linmin: converged after 2 iterations.
iteration 611: trace = 2.393039432062455 (1.21292e-10% change)
linmin: converged after 3 iterations.
iteration 612: trace = 2.393039432060148 (9.63879e-11% change)
Finished solving for bands 2 to 10 after 612 iterations.
tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016
.elapsed time for k point: 23.18514633178711
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21564852630526718 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.26588497856380056 at Vector3<0.0, 0.0, 0.0> to 0.35463024054718184 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0>
Band 3 range: 0.3562142355910895 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517897584 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.3689901366641175 at Vector3<0.0, 0.0, 0.0> to 0.4807484678399721 at Vector3<0.5, 0.5, 0.0>
Band 5 range: 0.47790148242229874 at Vector3<0.5, 0.0, 0.0> to 0.5073352894259889 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 0.5065518587490182 at Vector3<0.0, 0.0, 0.0> to 0.5125343692374184 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 0.5090758743995514 at Vector3<0.5, 0.0, 0.0> to 0.6079200818062316 at Vector3<0.5, 0.5, 0.0>
Band 8 range: 0.6150518764858982 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.6356807846306177 at Vector3<0.0, 0.0, 0.0>
Band 9 range: 0.6397097609322201 at Vector3<0.5, 0.0, 0.0> to 0.6489078359306725 at Vector3<0.5, 0.5, 0.0>
Band 10 range: 0.6468898905225952 at Vector3<0.5, 0.0, 0.0> to 0.6600163337642775 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.21564852630526718) to band 2 (0.26588497856380056), 20.865194945133887%
Gap from band 2 (0.35463024054718184) to band 3 (0.3562142355910895), 0.4456657108775355%
Gap from band 3 (0.36527833517897584) to band 4 (0.3689901366641175), 1.0110202541652482%
Gap from band 7 (0.6079200818062316) to band 8 (0.6150518764858982), 1.1663055119638421%
Gap from band 8 (0.6356807846306177) to band 9 (0.6397097609322201), 0.6318027549474047%
total elapsed time for run: 295.33319568634033
done
/tmp/meepNmMUdV/test_hermitian_eps-0: 295.34s
/tmp/meepNmMUdV/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: 0.36353182792663574
solve_kpoint (-0.333333,0.333333,0):
zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9
Solving for bands 1 to 9...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 20.14068801126488 (196.16% change)
linmin: converged after 13 iterations.
iteration 2: trace = 3.299137341812154 (143.7% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.669410204363299 (21.1015% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.402412493859758 (10.5287% change)
linmin: converged after 6 iterations.
iteration 5: trace = 2.282088343951349 (5.13712% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.228076475135564 (2.39512% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.2070884324455 (0.946438% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.197424295814846 (0.438829% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.19315658004023 (0.194403% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.190612639379606 (0.116062% change)
linmin: converged after 5 iterations.
iteration 11: trace = 2.189324950477864 (0.0587994% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.188582973205618 (0.0338964% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.188220751657787 (0.0165519% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.188067093604258 (0.0070223% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.188000083848075 (0.00306256% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.18797477956343 (0.00115651% change)
linmin: converged after 5 iterations.
iteration 17: trace = 2.187966030722322 (0.000399861% change)
linmin: converged after 5 iterations.
iteration 18: trace = 2.187961616111454 (0.000201768% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.1879597773419 (8.40403e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.18795888606421 (4.07356e-05% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.18795854913431 (1.53993e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 2.18795830248867 (1.12729e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 2.187958133390985 (7.72856e-06% change)
linmin: converged after 5 iterations.
iteration 24: trace = 2.187958074545614 (2.68951e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 2.187958069787004 (2.17491e-07% change)
linmin: converged after 7 iterations.
iteration 26: trace = 2.187958069734503 (2.39955e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 2.187958069720223 (6.52649e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 2.187958069713313 (3.15821e-10% change)
linmin: converged after 5 iterations.
iteration 29: trace = 2.187958069709288 (1.83972e-10% change)
linmin: converged after 18 iterations.
iteration 30: trace = 2.187958069706379 (1.32965e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 2.187958069704338 (9.32646e-11% change)
Finished solving for bands 1 to 9 after 31 iterations.
zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253
elapsed time for k point: 70.33624815940857
total elapsed time for run: 70.69995927810669
done
Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913
FOutputting fields to /tmp/meepNmMUdV/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 = 2.280643847680861 s
/tmp/meepNmMUdV/test_hole_slab-0: 70.84s
/tmp/meepNmMUdV/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: 0.009419679641723633
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 14.08603322828975 (195.946% change)
linmin: converged after 8 iterations.
iteration 2: trace = 4.946841082550779 (96.0359% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.482417469982581 (9.85069% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.426179454909691 (1.26256% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.404732774789116 (0.485718% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.393592673653448 (0.253232% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.388048069558336 (0.126277% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.386014285277241 (0.046359% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.385327350069842 (0.0156632% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.385030799696012 (0.00676256% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.384928986166431 (0.00232187% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.384903198778337 (0.000588093% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.384897579818508 (0.000128143% change)
linmin: converged after 13 iterations.
iteration 14: trace = 4.384896578810197 (2.28285e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.384896296354982 (6.44155e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.384896163448671 (3.031e-06% change)
linmin: converged after 9 iterations.
iteration 17: trace = 4.384896108996914 (1.2418e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.384896055181356 (1.22729e-06% change)
linmin: converged after 6 iterations.
iteration 19: trace = 4.384895970966074 (1.92058e-06% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.38489590726072 (1.45284e-06% change)
large trace change predicted (4.57068e-06%)
linmin: converged after 10 iterations.
iteration 21: trace = 4.384895706840789 (4.57069e-06% change)
large trace change predicted (5.41044e-05%)
linmin: converged after 4 iterations.
iteration 22: trace = 4.384893338154686 (5.40192e-05% change)
large trace change predicted (0.000283059%)
linmin: converged after 9 iterations.
iteration 23: trace = 4.384881228104788 (0.000276177% change)
linmin: converged after 7 iterations.
iteration 24: trace = 4.384874398261604 (0.000155759% change)
linmin: converged after 6 iterations.
iteration 25: trace = 4.384872500609987 (4.32772e-05% change)
linmin: converged after 6 iterations.
iteration 26: trace = 4.3848713955458 (2.52017e-05% change)
linmin: converged after 7 iterations.
iteration 27: trace = 4.384870693954905 (1.60003e-05% change)
linmin: converged after 6 iterations.
iteration 28: trace = 4.384870461981484 (5.29031e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 4.384870388767834 (1.66969e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.384870368921946 (4.52599e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.384870362402347 (1.48684e-07% change)
linmin: converged after 9 iterations.
iteration 32: trace = 4.384870359727408 (6.10038e-08% change)
linmin: converged after 4 iterations.
iteration 33: trace = 4.384870359219287 (1.1588e-08% change)
linmin: converged after 18 iterations.
iteration 34: trace = 4.384870359145627 (1.67987e-09% change)
linmin: converged after 11 iterations.
iteration 35: trace = 4.384870359129828 (3.60305e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 4.384870359120794 (2.06039e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 4.384870359115494 (1.20865e-10% change)
linmin: converged after 6 iterations.
iteration 38: trace = 4.384870359114359 (2.58866e-11% change)
Finished solving for bands 2 to 8 after 38 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928
elapsed time for k point: 0.7747917175292969
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.39872195949743 (0.785795% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.39311735253206 (0.127496% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.389343357581851 (0.0859439% change)
linmin: converged after 3 iterations.
iteration 4: trace = 4.386788287284224 (0.0582277% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.383878624289434 (0.0663499% change)
large trace change predicted (0.244096%)
linmin: converged after 5 iterations.
iteration 6: trace = 4.374047515311024 (0.224508% change)
linmin: converged after 7 iterations.
iteration 7: trace = 4.368118510614789 (0.135642% change)
linmin: converged after 6 iterations.
iteration 8: trace = 4.366002631629466 (0.0484509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.364742801755479 (0.0288596% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.364161252396401 (0.0133247% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.363987460651575 (0.00398233% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.363951770767711 (0.000817831% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.36393858374061 (0.000302181% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.36393008190258 (0.00019482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.363920378512217 (0.000222355% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.363910621681136 (0.00022358% change)
linmin: converged after 6 iterations.
iteration 17: trace = 4.363903924465893 (0.000153468% change)
linmin: converged after 5 iterations.
iteration 18: trace = 4.363900915392915 (6.89537e-05% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.363900331099684 (1.33892e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.363900186221043 (3.31993e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.363900088964535 (2.22866e-06% change)
linmin: converged after 7 iterations.
iteration 22: trace = 4.363900060699683 (6.47697e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.363900055304586 (1.2363e-07% change)
linmin: converged after 9 iterations.
iteration 24: trace = 4.363900051912999 (7.77192e-08% change)
linmin: converged after 5 iterations.
iteration 25: trace = 4.363900047515076 (1.0078e-07% change)
linmin: converged after 23 iterations.
iteration 26: trace = 4.363900042904723 (1.05648e-07% change)
linmin: converged after 11 iterations.
iteration 27: trace = 4.363900040389199 (5.7644e-08% change)
linmin: converged after 10 iterations.
iteration 28: trace = 4.363900039270392 (2.56378e-08% change)
linmin: converged after 3 iterations.
iteration 29: trace = 4.363900038955546 (7.2148e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.363900038873566 (1.87859e-09% change)
linmin: converged after 6 iterations.
iteration 31: trace = 4.363900038847111 (6.0623e-10% change)
linmin: converged after 19 iterations.
iteration 32: trace = 4.363900038835859 (2.5783e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 4.363900038830814 (1.15604e-10% change)
linmin: converged after 8 iterations.
iteration 34: trace = 4.363900038828969 (4.22729e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362
elapsed time for k point: 1.0981969833374023
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.337244337609713 (0.916306% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.328998104322943 (0.190307% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.326393701640949 (0.0601799% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.326044500292328 (0.00807174% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.326009019266941 (0.000820176% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.325999490808996 (0.00022026% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.325995296299609 (9.69605e-05% change)
linmin: converged after 10 iterations.
iteration 8: trace = 4.32599459465187 (1.62193e-05% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.325994488077118 (2.46359e-06% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.325994468151051 (4.60612e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.325994462562197 (1.29192e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.325994459723789 (6.56128e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.325994458374728 (3.1185e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.325994457749015 (1.4464e-08% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.32599445760477 (3.33439e-09% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.325994457594259 (2.42966e-10% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.325994457593165 (2.52944e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829
elapsed time for k point: 0.3369443416595459
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.30600107092552 (0.788082% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.300360847932486 (0.131071% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.29851853832182 (0.04285% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.298157359198784 (0.00840276% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.298101423772041 (0.00130139% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.29808505991654 (0.000380724% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.298081361323796 (8.60521e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.298081030130989 (7.7056e-06% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.298080990199845 (9.29046e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.298080980492037 (2.25864e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.298080977563766 (6.81297e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.298080976767696 (1.85215e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.298080976493846 (6.37143e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.298080976439335 (1.26827e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.298080976434353 (1.15928e-10% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.298080976434063 (6.73664e-12% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016
elapsed time for k point: 0.3299224376678467
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.295193771997794 (0.757652% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.289005422997731 (0.14418% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.286655525617623 (0.0548039% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.286149536707247 (0.0118045% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.286096391657205 (0.00123993% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.286089079043693 (0.000170613% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.286087354619916 (4.0233e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.28608714465769 (4.89869e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.286087124718897 (4.65198e-07% change)
linmin: converged after 25 iterations.
iteration 10: trace = 4.28608712234582 (5.5367e-08% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.286087121648094 (1.62788e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.286087121456529 (4.46946e-09% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.28608712142735 (6.80792e-10% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.286087121422133 (1.21723e-10% change)
linmin: converged after 9 iterations.
iteration 15: trace = 4.286087121421343 (1.84429e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067
elapsed time for k point: 0.4084458351135254
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.295769793792949 (0.789547% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.28778519878741 (0.186044% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.284595510942273 (0.0744178% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.283944159629766 (0.0152033% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.283890904445597 (0.00124314% change)
linmin: converged after 9 iterations.
iteration 6: trace = 4.283887176226486 (8.70288e-05% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.283886858681759 (7.41254e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.28388682691592 (7.41519e-07% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.28388682147316 (1.27052e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.283886820456622 (2.37293e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.283886820322502 (3.13079e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.283886820305657 (3.93222e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.283886820302826 (6.60968e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404
elapsed time for k point: 0.24545574188232422
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.289328030396197 (0.255282% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.288024760190657 (0.0303886% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.287906729392986 (0.00275261% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.28789198256394 (0.000343917% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.287890045876974 (4.51664e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.287889552037957 (1.15171e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.287889502750222 (1.14946e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.287889500347113 (5.60441e-08% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.28788950002585 (7.49233e-09% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.287889499903878 (2.84456e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.287889499875897 (6.52563e-10% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.287889499871684 (9.82448e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612
elapsed time for k point: 0.39058613777160645
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.301356803492723 (0.254655% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.300043563537599 (0.0305355% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.299922855277392 (0.00280718% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.299907791777742 (0.000350321% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.299905439718406 (5.47002e-05% change)
linmin: converged after 22 iterations.
iteration 6: trace = 4.29990483034585 (1.41718e-05% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.29990477686071 (1.24387e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.29990477259056 (9.9308e-08% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.29990477144707 (2.65934e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.299904771054311 (9.13415e-09% change)
linmin: converged after 7 iterations.
iteration 11: trace = 4.299904770962038 (2.14593e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.299904770944448 (4.09088e-10% change)
linmin: converged after 7 iterations.
iteration 13: trace = 4.299904770939913 (1.05468e-10% change)
linmin: converged after 7 iterations.
iteration 14: trace = 4.299904770939231 (1.5843e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226
elapsed time for k point: 0.23188138008117676
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.321382841090462 (0.254327% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.320030166755684 (0.0313068% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.319900410607524 (0.00300364% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.319883445006697 (0.000392732% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.319880164551648 (7.59385e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.319879323285335 (1.94743e-05% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.319879250560536 (1.68349e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.319879235729278 (3.43326e-07% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.319879227958102 (1.79893e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.319879225421852 (5.87111e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.319879224813207 (1.40894e-08% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.319879224663674 (3.4615e-09% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.319879224626948 (8.50146e-10% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.319879224622893 (9.38781e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721
elapsed time for k point: 0.20054125785827637
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.349129535370844 (0.255944% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.347666951089942 (0.033635% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.347512401085783 (0.00355484% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.347489679972002 (0.000522625% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.347484415105884 (0.000121101% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.347482964576345 (3.33648e-05% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.347482711409496 (5.8233e-06% change)
linmin: converged after 12 iterations.
iteration 8: trace = 4.347482493192523 (5.01939e-06% change)
linmin: converged after 18 iterations.
iteration 9: trace = 4.347482344420544 (3.42203e-06% change)
linmin: converged after 11 iterations.
iteration 10: trace = 4.347482298963946 (1.04558e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.34748228971871 (2.12657e-07% change)
linmin: converged after 31 iterations.
iteration 12: trace = 4.347482287039397 (6.16291e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.347482286360998 (1.56044e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.347482286300155 (1.3995e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.347482286295717 (1.02087e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.347482286295499 (5.02571e-12% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513
elapsed time for k point: 0.6272163391113281
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.383709611532715 (0.261984% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.382001036492409 (0.0389831% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.38178878025707 (0.00484394% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.381750715853946 (0.000868699% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.381738092892972 (0.000288081% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.381730455722745 (0.000174296% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.381717816252429 (0.000288459% change)
large trace change predicted (0.00139713%)
linmin: converged after 4 iterations.
iteration 8: trace = 4.381656919174327 (0.00138981% change)
large trace change predicted (0.0051514%)
linmin: converged after 5 iterations.
iteration 9: trace = 4.381441330732579 (0.00492037% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.381282131279463 (0.00363356% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.381241296825428 (0.000932025% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.381221871387274 (0.000443378% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.38121616433571 (0.000130262% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.381215701244823 (1.05699e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.381215670929224 (6.91945e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.381215668899547 (4.63268e-08% change)
linmin: converged after 19 iterations.
iteration 17: trace = 4.381215668422753 (1.08827e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.381215668185727 (5.41004e-09% change)
linmin: converged after 15 iterations.
iteration 19: trace = 4.381215667875738 (7.07542e-09% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.381215667457714 (9.54128e-09% change)
large trace change predicted (2.89871e-08%)
linmin: converged after 2 iterations.
iteration 21: trace = 4.381215666187726 (2.89871e-08% change)
large trace change predicted (1.22559e-07%)
linmin: converged after 2 iterations.
iteration 22: trace = 4.381215660818165 (1.22559e-07% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.381215657974618 (6.49031e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 4.381215657571822 (9.1937e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.381215657498217 (1.68002e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.381215657480995 (3.93082e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.381215657476102 (1.11681e-10% change)
linmin: converged after 16 iterations.
iteration 28: trace = 4.381215657475528 (1.3096e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053
elapsed time for k point: 0.3774714469909668
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.331786090078381 (0.980962% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.325045837960042 (0.155721% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.323282384521737 (0.0407814% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.322801726673116 (0.0111185% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.322744261437412 (0.00132936% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.322738562405223 (0.000131838% change)
linmin: converged after 26 iterations.
iteration 7: trace = 4.32273763909674 (2.13593e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.322737373315226 (6.14845e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.322737323966315 (1.14161e-06% change)
linmin: converged after 17 iterations.
iteration 10: trace = 4.322737320305617 (8.46847e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.322737319841389 (1.07392e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.322737319507413 (7.72602e-09% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.322737319388518 (2.75046e-09% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.322737319377671 (2.50936e-10% change)
linmin: converged after 14 iterations.
iteration 15: trace = 4.322737319376866 (1.86153e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543
elapsed time for k point: 0.3299226760864258
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.307332591897576 (0.923129% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.302220684616559 (0.11875% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.301135561283133 (0.0252256% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.300888756572761 (0.00573829% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.30085681986073 (0.000742564% change)
linmin: converged after 14 iterations.
iteration 6: trace = 4.300852819316745 (9.30174e-05% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.300851758232525 (2.46715e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.300851520938094 (5.51738e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.300851493117169 (6.4687e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.300851491505014 (3.74846e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.300851491410827 (2.18996e-09% change)
linmin: converged after 9 iterations.
iteration 12: trace = 4.300851491406211 (1.07324e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.30085149140595 (6.07146e-12% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529
elapsed time for k point: 0.2559182643890381
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.32434937401908 (0.940312% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.318854387770052 (0.127152% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.317434132377062 (0.0328904% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.317148349406396 (0.0066195% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.317118057908553 (0.000701658% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.317114586098945 (8.04196e-05% change)
linmin: converged after 6 iterations.
iteration 7: trace = 4.317113326114089 (2.91858e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.317112957372538 (8.54139e-06% change)
linmin: converged after 12 iterations.
iteration 9: trace = 4.317112903543082 (1.24689e-06% change)
linmin: converged after 20 iterations.
iteration 10: trace = 4.317112897314943 (1.44266e-07% change)
linmin: converged after 14 iterations.
iteration 11: trace = 4.317112896825686 (1.1333e-08% change)
linmin: converged after 7 iterations.
iteration 12: trace = 4.317112896790956 (8.04462e-10% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.317112896788794 (5.00757e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993
elapsed time for k point: 0.2491765022277832
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.370612521888273 (1.0309% change)
linmin: converged after 3 iterations.
iteration 2: trace = 4.362179672344799 (0.193131% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.358935647496616 (0.0743947% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.358364216793687 (0.0131103% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.358306058549699 (0.00133441% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.358298660455404 (0.000169747% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.358297720839154 (2.15592e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.358297586070666 (3.09223e-06% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.358297546325379 (9.11945e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.35829752236015 (5.49876e-07% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.358297517194551 (1.18523e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.358297516480515 (1.63834e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.358297516296371 (4.22512e-09% change)
linmin: converged after 6 iterations.
iteration 14: trace = 4.358297516225987 (1.61496e-09% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.358297516215984 (2.29509e-10% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.358297516212387 (8.2535e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248
elapsed time for k point: 0.33191704750061035
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.411986819852951 (1.21496% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.39527873831851 (0.379416% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.386670154538976 (0.196052% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.385375435085719 (0.0295192% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.385158037461172 (0.00495745% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.385115462211111 (0.000970899% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.385101645836656 (0.000315075% change)
linmin: converged after 6 iterations.
iteration 8: trace = 4.385091804775307 (0.000224421% change)
linmin: converged after 6 iterations.
iteration 9: trace = 4.385087112979723 (0.000106994% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.385086288853218 (1.87938e-05% change)
linmin: converged after 7 iterations.
iteration 11: trace = 4.385086150105526 (3.16408e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.385086139697313 (2.37355e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.385086139058153 (1.45758e-08% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.385086138940974 (2.67222e-09% change)
large trace change predicted (7.9911e-09%)
linmin: converged after 5 iterations.
iteration 15: trace = 4.385086138590554 (7.99118e-09% change)
large trace change predicted (6.98869e-08%)
linmin: converged after 6 iterations.
iteration 16: trace = 4.385086135525945 (6.98871e-08% change)
large trace change predicted (2.99537e-07%)
linmin: converged after 7 iterations.
iteration 17: trace = 4.385086122390883 (2.99539e-07% change)
large trace change predicted (1.05347e-06%)
linmin: converged after 12 iterations.
iteration 18: trace = 4.385086076197731 (1.05341e-06% change)
near maximum in trace
linmin: converged after 12 iterations.
iteration 19: trace = 4.385075363377362 (0.000244302% change)
linmin: converged after 9 iterations.
iteration 20: trace = 4.385074751503768 (1.39535e-05% change)
linmin: converged after 6 iterations.
iteration 21: trace = 4.385074131791603 (1.41323e-05% change)
linmin: converged after 5 iterations.
iteration 22: trace = 4.385073498120102 (1.44506e-05% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.3850728391906 (1.50266e-05% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.385072141566585 (1.59091e-05% change)
linmin: converged after 6 iterations.
iteration 25: trace = 4.385071390004491 (1.71391e-05% change)
linmin: converged after 6 iterations.
iteration 26: trace = 4.385070567002641 (1.87683e-05% change)
linmin: converged after 10 iterations.
iteration 27: trace = 4.385069652320134 (2.0859e-05% change)
linmin: converged after 6 iterations.
iteration 28: trace = 4.385068623117292 (2.34706e-05% change)
linmin: converged after 6 iterations.
iteration 29: trace = 4.385067455913275 (2.66177e-05% change)
linmin: converged after 6 iterations.
iteration 30: trace = 4.385066132564182 (3.01785e-05% change)
linmin: converged after 7 iterations.
iteration 31: trace = 4.385064652751265 (3.37467e-05% change)
linmin: converged after 6 iterations.
iteration 32: trace = 4.385063050710816 (3.6534e-05% change)
linmin: converged after 10 iterations.
iteration 33: trace = 4.385061400745426 (3.7627e-05% change)
linmin: converged after 10 iterations.
iteration 34: trace = 4.385059792765557 (3.66695e-05% change)
linmin: converged after 6 iterations.
iteration 35: trace = 4.385058292699991 (3.42086e-05% change)
linmin: converged after 7 iterations.
iteration 36: trace = 4.385056925719566 (3.11736e-05% change)
linmin: converged after 9 iterations.
iteration 37: trace = 4.385055687169101 (2.82448e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 4.385054559495551 (2.57163e-05% change)
linmin: converged after 7 iterations.
iteration 39: trace = 4.385053522968946 (2.36377e-05% change)
linmin: converged after 5 iterations.
iteration 40: trace = 4.385052560197837 (2.19557e-05% change)
linmin: converged after 5 iterations.
iteration 41: trace = 4.385051657324839 (2.05898e-05% change)
linmin: converged after 5 iterations.
iteration 42: trace = 4.385050803883862 (1.94625e-05% change)
linmin: converged after 6 iterations.
iteration 43: trace = 4.385049992245298 (1.85092e-05% change)
linmin: converged after 5 iterations.
iteration 44: trace = 4.385049217008356 (1.76791e-05% change)
linmin: converged after 5 iterations.
iteration 45: trace = 4.385048474457228 (1.69337e-05% change)
linmin: converged after 6 iterations.
iteration 46: trace = 4.385047762107202 (1.6245e-05% change)
linmin: converged after 9 iterations.
iteration 47: trace = 4.385047078337947 (1.55932e-05% change)
linmin: converged after 6 iterations.
iteration 48: trace = 4.385046422125289 (1.49648e-05% change)
linmin: converged after 7 iterations.
iteration 49: trace = 4.385045792731911 (1.43532e-05% change)
linmin: converged after 13 iterations.
iteration 50: trace = 4.385045189703144 (1.37519e-05% change)
linmin: converged after 5 iterations.
iteration 51: trace = 4.38504461255611 (1.31617e-05% change)
linmin: converged after 5 iterations.
iteration 52: trace = 4.385044060816794 (1.25823e-05% change)
linmin: converged after 6 iterations.
iteration 53: trace = 4.38504353399636 (1.2014e-05% change)
linmin: converged after 6 iterations.
iteration 54: trace = 4.385043031508665 (1.14591e-05% change)
linmin: converged after 5 iterations.
iteration 55: trace = 4.385042552650464 (1.09203e-05% change)
linmin: converged after 6 iterations.
iteration 56: trace = 4.385042096642393 (1.03992e-05% change)
linmin: converged after 6 iterations.
iteration 57: trace = 4.385041662654589 (9.897e-06% change)
linmin: converged after 3 iterations.
iteration 58: trace = 4.385041249778738 (9.41555e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 4.385040857070793 (8.95563e-06% change)
linmin: converged after 7 iterations.
iteration 60: trace = 4.385040483570849 (8.51759e-06% change)
linmin: converged after 6 iterations.
iteration 61: trace = 4.385040128308277 (8.10169e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 4.385039790310772 (7.70797e-06% change)
linmin: converged after 5 iterations.
iteration 63: trace = 4.385039468628151 (7.33591e-06% change)
linmin: converged after 7 iterations.
iteration 64: trace = 4.385039162327915 (6.98512e-06% change)
linmin: converged after 5 iterations.
iteration 65: trace = 4.385038870510874 (6.65483e-06% change)
linmin: converged after 6 iterations.
iteration 66: trace = 4.385038592311513 (6.34429e-06% change)
linmin: converged after 5 iterations.
iteration 67: trace = 4.385038326900565 (6.05265e-06% change)
linmin: converged after 3 iterations.
iteration 68: trace = 4.38503807348842 (5.77902e-06% change)
linmin: converged after 5 iterations.
iteration 69: trace = 4.385037831326652 (5.52246e-06% change)
resetting CG direction...
large trace change predicted (0.0031332%)
linmin: converged after 4 iterations.
iteration 70: trace = 4.384900329100619 (0.00313576% change)
linmin: converged after 3 iterations.
iteration 71: trace = 4.384884254601342 (0.000366588% change)
linmin: converged after 3 iterations.
iteration 72: trace = 4.384873438720082 (0.000246663% change)
linmin: converged after 3 iterations.
iteration 73: trace = 4.384870688145813 (6.27287e-05% change)
linmin: converged after 3 iterations.
iteration 74: trace = 4.384870449333986 (5.44627e-06% change)
linmin: converged after 3 iterations.
iteration 75: trace = 4.384870415882931 (7.62874e-07% change)
linmin: converged after 3 iterations.
iteration 76: trace = 4.384870401147243 (3.36058e-07% change)
linmin: converged after 3 iterations.
iteration 77: trace = 4.384870393492857 (1.74564e-07% change)
linmin: converged after 3 iterations.
iteration 78: trace = 4.384870389495106 (9.11715e-08% change)
linmin: converged after 3 iterations.
iteration 79: trace = 4.384870388322232 (2.67482e-08% change)
linmin: converged after 9 iterations.
iteration 80: trace = 4.384870388216734 (2.40597e-09% change)
linmin: converged after 3 iterations.
iteration 81: trace = 4.384870388189753 (6.15302e-10% change)
large trace change predicted (3.52411e-09%)
linmin: converged after 4 iterations.
iteration 82: trace = 4.38487038803525 (3.52357e-09% change)
large trace change predicted (3.74764e-08%)
linmin: converged after 28 iterations.
iteration 83: trace = 4.384870386391934 (3.7477e-08% change)
large trace change predicted (1.51153e-07%)
linmin: converged after 4 iterations.
iteration 84: trace = 4.384870379764137 (1.51151e-07% change)
linmin: converged after 6 iterations.
iteration 85: trace = 4.384870373683719 (1.38668e-07% change)
linmin: converged after 7 iterations.
iteration 86: trace = 4.384870369532241 (9.46773e-08% change)
linmin: converged after 4 iterations.
iteration 87: trace = 4.38487036365659 (1.33998e-07% change)
linmin: converged after 8 iterations.
iteration 88: trace = 4.384870360442977 (7.32887e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 4.384870359584565 (1.95767e-08% change)
linmin: converged after 14 iterations.
iteration 90: trace = 4.384870359189046 (9.02009e-09% change)
linmin: converged after 9 iterations.
iteration 91: trace = 4.384870359114164 (1.70774e-09% change)
linmin: converged after 3 iterations.
iteration 92: trace = 4.384870359106877 (1.66176e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 4.3848703591062 (1.54347e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928
elapsed time for k point: 1.3839027881622314
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354988 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.5751709345431458 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261726 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6918627724774273 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7443374497087806 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092526 at Vector3<0.0, 0.5, 0.0>
Band 6 range: 0.7852786984418488 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712541 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 7 range: 0.785657777185661 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014189 at Vector3<0.0, 0.5, 0.0>
Band 8 range: 1.0540350508135103 at Vector3<0.0, 0.5, 0.0> to 1.1492769389233968 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.3351167660354988) to band 2 (0.3351850759916969), 0.020381849463972628%
Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431458), 28.91941652452287%
Gap from band 5 (0.7793792212092526) to band 6 (0.7852786984418488), 0.7540916335133131%
Gap from band 7 (0.9122560439014189) to band 8 (1.0540350508135103), 14.420958045649535%
total elapsed time for run: 7.58844256401062
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: 0.005959033966064453
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 17.92607897538322 (194.877% change)
linmin: converged after 7 iterations.
iteration 2: trace = 7.881119915343174 (77.8462% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.848510109186977 (14.0209% change)
linmin: converged after 5 iterations.
iteration 4: trace = 6.58888652364287 (3.86419% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.523769424246076 (0.993195% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.496465469866302 (0.419408% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.483109823718502 (0.205795% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.474893456063001 (0.126815% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.472166897132514 (0.0421186% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.470881088000407 (0.0198687% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.47015757375367 (0.0111817% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.469608843969771 (0.00848129% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.469122408660893 (0.00751906% change)
linmin: converged after 7 iterations.
iteration 14: trace = 6.468841027070832 (0.0043497% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.468666577920377 (0.0026968% change)
linmin: converged after 10 iterations.
iteration 16: trace = 6.468592519446273 (0.00114489% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.46856679543332 (0.000397676% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.468554711940038 (0.000186803% change)
linmin: converged after 6 iterations.
iteration 19: trace = 6.468546490013834 (0.000127106% change)
linmin: converged after 5 iterations.
iteration 20: trace = 6.468532135358513 (0.000221915% change)
large trace change predicted (0.00051345%)
linmin: converged after 5 iterations.
iteration 21: trace = 6.468498926657947 (0.00051339% change)
large trace change predicted (0.00142191%)
linmin: converged after 4 iterations.
iteration 22: trace = 6.468407161839825 (0.00141865% change)
large trace change predicted (0.00515645%)
linmin: converged after 4 iterations.
iteration 23: trace = 6.468086335214083 (0.00496002% change)
large trace change predicted (0.0109938%)
linmin: converged after 7 iterations.
iteration 24: trace = 6.467419876616322 (0.0103043% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.466887404305107 (0.00823349% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.466640790414967 (0.00381356% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.466547273459352 (0.00144615% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.466507039465316 (0.000622189% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.466489938107039 (0.000264461% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.466483473449076 (9.99717e-05% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.466478920991301 (7.04009e-05% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.466475300003511 (5.59963e-05% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.466472640176281 (4.11326e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 6.466470979761616 (2.56773e-05% change)
linmin: converged after 4 iterations.
iteration 35: trace = 6.466469915055019 (1.6465e-05% change)
linmin: converged after 5 iterations.
iteration 36: trace = 6.466469179614943 (1.13731e-05% change)
linmin: converged after 5 iterations.
iteration 37: trace = 6.466468751725752 (6.61705e-06% change)
linmin: converged after 4 iterations.
iteration 38: trace = 6.466468412461958 (5.24651e-06% change)
linmin: converged after 5 iterations.
iteration 39: trace = 6.466467929864256 (7.46308e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 6.466467100427191 (1.28267e-05% change)
large trace change predicted (2.85188e-05%)
linmin: converged after 5 iterations.
iteration 41: trace = 6.466465255877623 (2.85248e-05% change)
large trace change predicted (6.2393e-05%)
linmin: converged after 8 iterations.
iteration 42: trace = 6.46646122001997 (6.24121e-05% change)
large trace change predicted (0.00015753%)
linmin: converged after 6 iterations.
iteration 43: trace = 6.466451030011505 (0.000157583% change)
linmin: converged after 9 iterations.
iteration 44: trace = 6.466433013331613 (0.000278618% change)
linmin: converged after 11 iterations.
iteration 45: trace = 6.466416782663948 (0.000250999% change)
linmin: converged after 6 iterations.
iteration 46: trace = 6.466409490528265 (0.000112769% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.466406899774358 (4.00648e-05% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.466406094478431 (1.24535e-05% change)
linmin: converged after 2 iterations.
iteration 49: trace = 6.466405844612755 (3.86406e-06% change)
linmin: converged after 2 iterations.
iteration 50: trace = 6.466405769907499 (1.15528e-06% change)
linmin: converged after 2 iterations.
iteration 51: trace = 6.466405747181907 (3.51441e-07% change)
linmin: converged after 2 iterations.
iteration 52: trace = 6.46640573799684 (1.42043e-07% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.466405731539118 (9.98657e-08% change)
linmin: converged after 6 iterations.
iteration 54: trace = 6.466405724920215 (1.02358e-07% change)
linmin: converged after 4 iterations.
iteration 55: trace = 6.466405718048475 (1.06268e-07% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.46640571327633 (7.3799e-08% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.466405709709058 (5.51662e-08% change)
linmin: converged after 2 iterations.
iteration 58: trace = 6.466405707038169 (4.13041e-08% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.466405704132005 (4.49425e-08% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.466405699087506 (7.80109e-08% change)
large trace change predicted (1.5603e-07%)
linmin: converged after 2 iterations.
iteration 61: trace = 6.466405688997896 (1.56031e-07% change)
large trace change predicted (3.7443e-07%)
linmin: converged after 15 iterations.
iteration 62: trace = 6.466405664785508 (3.74433e-07% change)
linmin: converged after 28 iterations.
iteration 63: trace = 6.466405627489602 (5.76764e-07% change)
linmin: converged after 5 iterations.
iteration 64: trace = 6.466405586875777 (6.28074e-07% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.46640556506476 (3.37297e-07% change)
linmin: converged after 4 iterations.
iteration 66: trace = 6.466405555907518 (1.41613e-07% change)
linmin: converged after 2 iterations.
iteration 67: trace = 6.466405552605178 (5.10692e-08% change)
linmin: converged after 2 iterations.
iteration 68: trace = 6.466405551334731 (1.96469e-08% change)
linmin: converged after 16 iterations.
iteration 69: trace = 6.466405550799248 (8.281e-09% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 6.466405550642449 (2.42482e-09% change)
linmin: converged after 3 iterations.
iteration 71: trace = 6.466405550503872 (2.14303e-09% change)
linmin: converged after 6 iterations.
iteration 72: trace = 6.466405550445268 (9.06281e-10% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.466405550414719 (4.72425e-10% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.46640555038379 (4.78303e-10% change)
linmin: converged after 3 iterations.
iteration 75: trace = 6.466405550351928 (4.92725e-10% change)
large trace change predicted (1.03812e-09%)
linmin: converged after 3 iterations.
iteration 76: trace = 6.466405550284806 (1.03802e-09% change)
large trace change predicted (2.15834e-09%)
linmin: converged after 5 iterations.
iteration 77: trace = 6.466405550145241 (2.15831e-09% change)
large trace change predicted (4.86711e-09%)
linmin: converged after 3 iterations.
iteration 78: trace = 6.466405549830503 (4.86729e-09% change)
linmin: converged after 6 iterations.
iteration 79: trace = 6.466405549269239 (8.67969e-09% change)
linmin: converged after 11 iterations.
iteration 80: trace = 6.466405548567114 (1.0858e-08% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.466405547894586 (1.04003e-08% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.466405547386092 (7.86362e-09% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.466405546958021 (6.61992e-09% change)
linmin: converged after 8 iterations.
iteration 84: trace = 6.466405546506333 (6.98514e-09% change)
linmin: converged after 16 iterations.
iteration 85: trace = 6.466405546057374 (6.94295e-09% change)
linmin: converged after 2 iterations.
iteration 86: trace = 6.46640554572432 (5.15053e-09% change)
linmin: converged after 5 iterations.
iteration 87: trace = 6.466405545536675 (2.90184e-09% change)
linmin: converged after 6 iterations.
iteration 88: trace = 6.466405545461352 (1.16483e-09% change)
linmin: converged after 3 iterations.
iteration 89: trace = 6.466405545440622 (3.20595e-10% change)
linmin: converged after 4 iterations.
iteration 90: trace = 6.466405545433945 (1.03248e-10% change)
linmin: converged after 17 iterations.
iteration 91: trace = 6.466405545431552 (3.70028e-11% change)
Finished solving for bands 2 to 8 after 91 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334
elapsed time for k point: 1.196976661682129
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.464067052996546 (0.950104% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.43476570269001 (0.454326% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.41564474813926 (0.297593% change)
linmin: converged after 5 iterations.
iteration 4: trace = 6.39465360439015 (0.327723% change)
linmin: converged after 5 iterations.
iteration 5: trace = 6.384220861344239 (0.163281% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.377901272818545 (0.0990366% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.375261062794824 (0.0414048% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.373625086332797 (0.0256646% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.37201104783465 (0.0253269% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.370462458537317 (0.0243059% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.369069011456711 (0.021876% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.368402519883851 (0.0104651% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.368153913676103 (0.00390382% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.368046529108516 (0.00168629% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.368001436772975 (0.000708106% change)
linmin: converged after 5 iterations.
iteration 16: trace = 6.367977391429577 (0.000377597% change)
linmin: converged after 6 iterations.
iteration 17: trace = 6.367957304387381 (0.000315439% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.367940626657136 (0.000261901% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.367929610031953 (0.000173002% change)
linmin: converged after 6 iterations.
iteration 20: trace = 6.367922428080588 (0.000112783% change)
linmin: converged after 5 iterations.
iteration 21: trace = 6.367918388196858 (6.34412e-05% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.36791563959841 (4.31632e-05% change)
linmin: converged after 6 iterations.
iteration 23: trace = 6.367913674060577 (3.08663e-05% change)
linmin: converged after 6 iterations.
iteration 24: trace = 6.367912248327197 (2.23893e-05% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.367910983142318 (1.98681e-05% change)
linmin: converged after 8 iterations.
iteration 26: trace = 6.367910002775989 (1.53954e-05% change)
linmin: converged after 7 iterations.
iteration 27: trace = 6.3679094833749 (8.15654e-06% change)
linmin: converged after 12 iterations.
iteration 28: trace = 6.367909240413649 (3.8154e-06% change)
linmin: converged after 12 iterations.
iteration 29: trace = 6.367909155901818 (1.32715e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.367909122690675 (5.21539e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 6.367909103767053 (2.97172e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.367909090577662 (2.07123e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.367909079277775 (1.77451e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 6.367909068648772 (1.66915e-07% change)
linmin: converged after 15 iterations.
iteration 35: trace = 6.367909061036096 (1.19547e-07% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.367909056621722 (6.93222e-08% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.367909054297022 (3.65065e-08% change)
linmin: converged after 20 iterations.
iteration 38: trace = 6.367909052624121 (2.62708e-08% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.367909051314649 (2.05636e-08% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.367909050370929 (1.48199e-08% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.367909049791784 (9.09474e-09% change)
linmin: converged after 8 iterations.
iteration 42: trace = 6.367909049418198 (5.86671e-09% change)
linmin: converged after 4 iterations.
iteration 43: trace = 6.367909049257639 (2.52137e-09% change)
linmin: converged after 4 iterations.
iteration 44: trace = 6.367909049201544 (8.80896e-10% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.367909049182624 (2.97114e-10% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.367909049171304 (1.77764e-10% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.367909049158719 (1.97639e-10% change)
linmin: converged after 13 iterations.
iteration 48: trace = 6.367909049144635 (2.21169e-10% change)
linmin: converged after 5 iterations.
iteration 49: trace = 6.367909049133679 (1.72059e-10% change)
linmin: converged after 5 iterations.
iteration 50: trace = 6.367909049127847 (9.15808e-11% change)
Finished solving for bands 1 to 8 after 50 iterations.
tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036
elapsed time for k point: 0.9572806358337402
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 9 iterations.
iteration 1: trace = 6.3200032605905 (0.45358% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.311018991319692 (0.142257% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.308745252010985 (0.0360346% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.307868874486335 (0.0138924% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.307557660640793 (0.00493386% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.307472354505048 (0.00135245% change)
linmin: converged after 6 iterations.
iteration 7: trace = 6.307433279783366 (0.000619501% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.30742018930066 (0.000207541% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.307414904204794 (8.37918e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.307412046921582 (4.53004e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.307410415158996 (2.58706e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 6.307409446531604 (1.5357e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.307408968969257 (7.57145e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.307408722233323 (3.91184e-06% change)
linmin: converged after 17 iterations.
iteration 15: trace = 6.307408593328487 (2.04371e-06% change)
linmin: converged after 28 iterations.
iteration 16: trace = 6.307408549531712 (6.9437e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.307408534807263 (2.33447e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.307408529970346 (7.66863e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.307408528488404 (2.34953e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.307408528005171 (7.66136e-09% change)
linmin: converged after 5 iterations.
iteration 21: trace = 6.30740852785379 (2.40005e-09% change)
linmin: converged after 7 iterations.
iteration 22: trace = 6.307408527794085 (9.46587e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.30740852775652 (5.95563e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.30740852773683 (3.12173e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.307408527727549 (1.47138e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.307408527722556 (7.91663e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834
elapsed time for k point: 0.5109224319458008
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.297463612982484 (0.437255% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.286946394750923 (0.167147% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.284028604043969 (0.0464211% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.282826267175199 (0.019135% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.282353152580638 (0.00753057% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.282211510427349 (0.00225463% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.28210807752496 (0.00164645% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.282049428303634 (0.000933596% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.282007604383709 (0.000665771% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.281988929449003 (0.000297277% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.281981237844711 (0.000122439% change)
linmin: converged after 5 iterations.
iteration 12: trace = 6.281976759971988 (7.12812e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 6.281973995724686 (4.40028e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.281972494607873 (2.38956e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.281971806094742 (1.09601e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 6.281971630844382 (2.78973e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.281971579295188 (8.20589e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.28197156610134 (2.10027e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.28197156230419 (6.04452e-08% change)
linmin: converged after 13 iterations.
iteration 20: trace = 6.281971560806641 (2.38388e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.281971560352625 (7.22728e-09% change)
linmin: converged after 5 iterations.
iteration 22: trace = 6.281971560186313 (2.64745e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.281971560120159 (1.05308e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 6.281971560091682 (4.5331e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.281971560080309 (1.81044e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 6.281971560075125 (8.25125e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655
elapsed time for k point: 0.4793858528137207
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.300840158369297 (0.430756% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.2892066843556 (0.184804% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.286050269834829 (0.0502004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.284751976800656 (0.0206557% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.284072271310484 (0.0108157% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.283704056617309 (0.00585966% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.2832585270345 (0.00709049% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.283014882139578 (0.00387776% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.282869782341747 (0.00230942% change)
linmin: converged after 5 iterations.
iteration 10: trace = 6.282800167347959 (0.00110802% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.282747004996441 (0.000846161% change)
linmin: converged after 20 iterations.
iteration 12: trace = 6.282703557062474 (0.000691546% change)
linmin: converged after 5 iterations.
iteration 13: trace = 6.282682229335338 (0.000339468% change)
linmin: converged after 5 iterations.
iteration 14: trace = 6.282675130393072 (0.000112992% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.282672608965461 (4.0133e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 6.282672096548717 (8.15603e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.282671912329277 (2.93218e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 6.282671841190036 (1.13231e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.282671801233792 (6.35975e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 6.282671779010518 (3.53723e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.282671770784775 (1.30927e-07% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.282671767753027 (4.82557e-08% change)
linmin: converged after 23 iterations.
iteration 23: trace = 6.282671766763948 (1.5743e-08% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.282671766458806 (4.85688e-09% change)
linmin: converged after 9 iterations.
iteration 25: trace = 6.282671766336981 (1.93907e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 6.282671766260684 (1.21441e-09% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.282671766201569 (9.40913e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.282671766155278 (7.36804e-10% change)
linmin: converged after 5 iterations.
iteration 29: trace = 6.282671766133061 (3.53636e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.282671766123542 (1.51506e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 6.282671766119807 (5.94459e-11% change)
Finished solving for bands 1 to 8 after 31 iterations.
tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665
elapsed time for k point: 0.6738970279693604
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.32305852451288 (0.41541% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.311730025499247 (0.179322% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.308426930507706 (0.0523463% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.306501212721223 (0.0305308% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.304352136229676 (0.034083% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.302203468398333 (0.0340881% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.29949534067714 (0.0429804% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.298130082630943 (0.0216748% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.296931272766081 (0.0190362% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.295807443255148 (0.0178488% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.294899315455876 (0.0144254% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.294524809215354 (0.00594954% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.294437485924448 (0.0013873% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.294418376016279 (0.0003036% change)
linmin: converged after 5 iterations.
iteration 15: trace = 6.294411189092596 (0.000114179% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.294408935263541 (3.58068e-05% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.294407437985894 (2.37874e-05% change)
linmin: converged after 6 iterations.
iteration 18: trace = 6.29440645900385 (1.55532e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 6.294405986379217 (7.50865e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 6.294405825788376 (2.55133e-06% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.294405782629287 (6.85674e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 6.294405766446981 (2.5709e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.294405751369189 (2.39543e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 6.294405733484955 (2.84129e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 6.294405719045221 (2.29406e-07% change)
linmin: converged after 5 iterations.
iteration 26: trace = 6.294405712361794 (1.0618e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.29440571017969 (3.46673e-08% change)
linmin: converged after 12 iterations.
iteration 28: trace = 6.29440570899652 (1.87972e-08% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.294405707877617 (1.77761e-08% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.294405706286301 (2.52814e-08% change)
linmin: converged after 20 iterations.
iteration 31: trace = 6.294405704817242 (2.33391e-08% change)
linmin: converged after 5 iterations.
iteration 32: trace = 6.294405704102966 (1.13478e-08% change)
linmin: converged after 9 iterations.
iteration 33: trace = 6.294405703768753 (5.30969e-09% change)
linmin: converged after 6 iterations.
iteration 34: trace = 6.294405703545733 (3.54314e-09% change)
linmin: converged after 7 iterations.
iteration 35: trace = 6.294405703401987 (2.28372e-09% change)
linmin: converged after 5 iterations.
iteration 36: trace = 6.294405703320324 (1.29739e-09% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.294405703286798 (5.32633e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.294405703273476 (2.11645e-10% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.294405703268611 (7.72979e-11% change)
Finished solving for bands 1 to 8 after 39 iterations.
tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202
elapsed time for k point: 0.8464481830596924
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.304124176919602 (0.136202% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.299143727760468 (0.0790343% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.29761911485909 (0.0242064% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.296869484147147 (0.0119041% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.296579810595465 (0.00460038% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.296498469687401 (0.00129184% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.296474114150609 (0.000386812% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.296468894841469 (8.28926e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 6.29646816300987 (1.16229e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.29646794117121 (3.52322e-06% change)
linmin: converged after 10 iterations.
iteration 11: trace = 6.296467865329763 (1.20451e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.296467833969857 (4.98056e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 6.296467809830014 (3.83387e-07% change)
linmin: converged after 9 iterations.
iteration 14: trace = 6.296467783022486 (4.25755e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 6.296467750315617 (5.19448e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.296467727879384 (3.5633e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.296467716753017 (1.76708e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.296467707688737 (1.43958e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.296467699980607 (1.2242e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.296467694261517 (9.08301e-08% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.296467691403801 (4.5386e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 6.296467690402602 (1.5901e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 6.296467690046349 (5.65799e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.29646768982429 (3.52672e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.296467689597053 (3.60896e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.296467689392037 (3.25605e-09% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.296467689305392 (1.37608e-09% change)
linmin: converged after 7 iterations.
iteration 28: trace = 6.296467689279556 (4.10329e-10% change)
linmin: converged after 15 iterations.
iteration 29: trace = 6.296467689270651 (1.41427e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.296467689265774 (7.74559e-11% change)
Finished solving for bands 1 to 8 after 30 iterations.
tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197
elapsed time for k point: 0.5963494777679443
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.309755869234781 (0.140741% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.304446785319124 (0.0841763% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.302898425009928 (0.0245628% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.30220020902879 (0.0110783% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.301949962624336 (0.00397086% change)
linmin: converged after 5 iterations.
iteration 6: trace = 6.301878185411512 (0.00113897% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.301853710018786 (0.000388383% change)
linmin: converged after 2 iterations.
iteration 8: trace = 6.301848087262022 (8.92239e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.301846911960352 (1.86501e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.301846388216972 (8.31095e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.301846085008105 (4.81143e-06% change)
linmin: converged after 10 iterations.
iteration 12: trace = 6.30184588886787 (3.11243e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 6.301845757623044 (2.08264e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.30184569861957 (9.36289e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 6.301845668235487 (4.82146e-07% change)
linmin: converged after 14 iterations.
iteration 16: trace = 6.301845649790846 (2.92686e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.30184562932034 (3.24834e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.30184560184901 (4.35925e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.301845579579472 (3.53381e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 6.301845567110102 (1.97869e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.301845561609765 (8.72814e-08% change)
linmin: converged after 26 iterations.
iteration 22: trace = 6.301845559125026 (3.94288e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 6.301845557289972 (2.91193e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.301845555247236 (3.24149e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 6.301845553038564 (3.5048e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 6.301845551683946 (2.14956e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.301845551182741 (7.9533e-09% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.301845550984634 (3.14364e-09% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.301845550903847 (1.28196e-09% change)
linmin: converged after 2 iterations.
iteration 30: trace = 6.301845550857776 (7.31067e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.30184555083353 (3.84751e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.30184555082548 (1.27747e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.301845550822877 (4.12952e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183
elapsed time for k point: 1.4247705936431885
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.317078115614864 (0.146594% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.311483197751503 (0.0886074% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.310056572941805 (0.0226062% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.309473827669129 (0.00923561% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.309287208927556 (0.0029578% change)
linmin: converged after 5 iterations.
iteration 6: trace = 6.309229226566798 (0.000919004% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.309202973781213 (0.000416102% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.30919440659967 (0.000135789% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.309190349198229 (6.43094e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.309187375962605 (4.71255e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.309185567454864 (2.86647e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.309184755086878 (1.2876e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.309184446575221 (4.88988e-06% change)
linmin: converged after 5 iterations.
iteration 14: trace = 6.309184352025174 (1.49861e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 6.309184300579332 (8.15412e-07% change)
linmin: converged after 8 iterations.
iteration 16: trace = 6.309184257672634 (6.80067e-07% change)
linmin: converged after 7 iterations.
iteration 17: trace = 6.309184198715782 (9.34461e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.309184133927345 (1.02689e-06% change)
linmin: converged after 7 iterations.
iteration 19: trace = 6.309184099681204 (5.42798e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.30918408410606 (2.46865e-07% change)
linmin: converged after 8 iterations.
iteration 21: trace = 6.309184076911358 (1.14035e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.309184072438 (7.09023e-08% change)
linmin: converged after 6 iterations.
iteration 23: trace = 6.309184068130057 (6.82805e-08% change)
linmin: converged after 14 iterations.
iteration 24: trace = 6.309184063212676 (7.794e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 6.309184056450126 (1.07186e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 6.309184051362691 (8.06354e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 6.309184048652987 (4.29486e-08% change)
linmin: converged after 18 iterations.
iteration 28: trace = 6.309184047348862 (2.06703e-08% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.309184046823375 (8.32893e-09% change)
linmin: converged after 2 iterations.
iteration 30: trace = 6.309184046545846 (4.39881e-09% change)
linmin: converged after 2 iterations.
iteration 31: trace = 6.309184046419702 (1.99936e-09% change)
linmin: converged after 6 iterations.
iteration 32: trace = 6.309184046373005 (7.40141e-10% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.309184046358347 (2.32336e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.309184046353364 (7.8975e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717
elapsed time for k point: 0.9496841430664062
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.325727801917711 (0.146427% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.320285470978049 (0.0860719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.319074550837462 (0.0191611% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.318622553848058 (0.00715315% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.318479349123102 (0.00226642% change)
linmin: converged after 5 iterations.
iteration 6: trace = 6.318420288427251 (0.000934734% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.318374042071838 (0.000731932% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.318349508618049 (0.000388288% change)
linmin: converged after 5 iterations.
iteration 9: trace = 6.318335411522139 (0.000223114% change)
linmin: converged after 5 iterations.
iteration 10: trace = 6.318328246606694 (0.000113399% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.31832558476686 (4.21289e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.318324523260427 (1.68004e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.318324118770551 (6.40185e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 6.318323928379766 (3.01331e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 6.318323717792305 (3.33296e-06% change)
linmin: converged after 6 iterations.
iteration 16: trace = 6.318323450131578 (4.23626e-06% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.318323137017672 (4.95565e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.318322959162412 (2.81491e-06% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.318322903495034 (8.81047e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 6.318322888313275 (2.40281e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 6.318322883797128 (7.1477e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 6.318322882181355 (2.55728e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.318322881394603 (1.24519e-08% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.318322880964139 (6.81294e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 6.318322880605 (5.68409e-09% change)
linmin: converged after 15 iterations.
iteration 26: trace = 6.318322880209585 (6.25823e-09% change)
linmin: converged after 21 iterations.
iteration 27: trace = 6.31832287959852 (9.6713e-09% change)
linmin: converged after 14 iterations.
iteration 28: trace = 6.318322878497074 (1.74326e-08% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.318322877602431 (1.41595e-08% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.31832287708382 (8.20805e-09% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.318322876807065 (4.38021e-09% change)
linmin: converged after 7 iterations.
iteration 32: trace = 6.318322876668267 (2.19674e-09% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.318322876613936 (8.59892e-10% change)
linmin: converged after 6 iterations.
iteration 34: trace = 6.318322876598196 (2.49121e-10% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.318322876593963 (6.69966e-11% change)
Finished solving for bands 1 to 8 after 35 iterations.
tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722
elapsed time for k point: 0.5867328643798828
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.337373568353543 (0.139364% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.332424094181636 (0.0781303% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.331354309822502 (0.0168952% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.330940591274194 (0.00653465% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.330763210196264 (0.00280185% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.33064396980161 (0.00188353% change)
linmin: converged after 7 iterations.
iteration 7: trace = 6.330526348136551 (0.00185799% change)
linmin: converged after 13 iterations.
iteration 8: trace = 6.330475545195476 (0.000802511% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.330456130102515 (0.000306693% change)
linmin: converged after 5 iterations.
iteration 10: trace = 6.330448155863277 (0.000125966% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.330444917500964 (5.11554e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.330441968357512 (4.65867e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.330438826384102 (4.96328e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 6.330433859955793 (7.84532e-05% change)
large trace change predicted (0.000173114%)
linmin: converged after 5 iterations.
iteration 15: trace = 6.330422902013757 (0.0001731% change)
linmin: converged after 5 iterations.
iteration 16: trace = 6.330408494649402 (0.00022759% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.330393091576583 (0.000243319% change)
linmin: converged after 6 iterations.
iteration 18: trace = 6.330384367755954 (0.000137809% change)
linmin: converged after 6 iterations.
iteration 19: trace = 6.330379302017224 (8.00226e-05% change)
linmin: converged after 5 iterations.
iteration 20: trace = 6.330373672644792 (8.89263e-05% change)
large trace change predicted (0.000227718%)
linmin: converged after 5 iterations.
iteration 21: trace = 6.330359257233077 (0.000227718% change)
large trace change predicted (0.000970824%)
linmin: converged after 4 iterations.
iteration 22: trace = 6.330298260631059 (0.000963561% change)
large trace change predicted (0.00347969%)
linmin: converged after 6 iterations.
iteration 23: trace = 6.330100731579208 (0.00312042% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.329824562064017 (0.00436289% change)
linmin: converged after 7 iterations.
iteration 25: trace = 6.329581573906367 (0.00383886% change)
linmin: converged after 6 iterations.
iteration 26: trace = 6.329442199166004 (0.00220198% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.329368645492959 (0.00116209% change)
linmin: converged after 10 iterations.
iteration 28: trace = 6.329332395863501 (0.000572723% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.329321991178512 (0.000164388% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.329319097988076 (4.57109e-05% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.329318300206615 (1.26045e-05% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.32931799410349 (4.83627e-06% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.329317823129362 (2.7013e-06% change)
linmin: converged after 6 iterations.
iteration 34: trace = 6.329317711845055 (1.75824e-06% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.329317634395559 (1.22366e-06% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.329317560691636 (1.16448e-06% change)
linmin: converged after 4 iterations.
iteration 37: trace = 6.32931747415502 (1.36723e-06% change)
linmin: converged after 8 iterations.
iteration 38: trace = 6.329317376194909 (1.54772e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.329317304171264 (1.13794e-06% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.329317262603997 (6.56742e-07% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.329317230522463 (5.06872e-07% change)
linmin: converged after 2 iterations.
iteration 42: trace = 6.329317195236122 (5.57506e-07% change)
linmin: converged after 2 iterations.
iteration 43: trace = 6.329317162896908 (5.10943e-07% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.329317144755773 (2.86621e-07% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.329317134305412 (1.6511e-07% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.329317125696884 (1.3601e-07% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.329317115496575 (1.6116e-07% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.329317101155471 (2.26582e-07% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.329317075190383 (4.10235e-07% change)
large trace change predicted (8.61114e-07%)
linmin: converged after 9 iterations.
iteration 50: trace = 6.329317020686204 (8.61138e-07% change)
large trace change predicted (2.13494e-06%)
linmin: converged after 7 iterations.
iteration 51: trace = 6.329316885549689 (2.13509e-06% change)
large trace change predicted (4.29533e-06%)
linmin: converged after 5 iterations.
iteration 52: trace = 6.329316613639072 (4.29605e-06% change)
linmin: converged after 6 iterations.
iteration 53: trace = 6.329316332925112 (4.43514e-06% change)
linmin: converged after 5 iterations.
iteration 54: trace = 6.329316191102488 (2.24073e-06% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.329316143746306 (7.48204e-07% change)
linmin: converged after 18 iterations.
iteration 56: trace = 6.32931612694177 (2.65503e-07% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.329316120032678 (1.0916e-07% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.329316116868592 (4.9991e-08% change)
linmin: converged after 3 iterations.
iteration 59: trace = 6.329316115420461 (2.28797e-08% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.329316114755848 (1.05006e-08% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.329316114258587 (7.85647e-09% change)
linmin: converged after 6 iterations.
iteration 62: trace = 6.32931611357861 (1.07433e-08% change)
linmin: converged after 7 iterations.
iteration 63: trace = 6.32931611250308 (1.69928e-08% change)
linmin: converged after 6 iterations.
iteration 64: trace = 6.329316111378772 (1.77635e-08% change)
linmin: converged after 17 iterations.
iteration 65: trace = 6.329316110808317 (9.01291e-09% change)
linmin: converged after 2 iterations.
iteration 66: trace = 6.32931611061173 (3.10597e-09% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.329316110525245 (1.36641e-09% change)
linmin: converged after 16 iterations.
iteration 68: trace = 6.329316110484219 (6.48202e-10% change)
linmin: converged after 7 iterations.
iteration 69: trace = 6.329316110465934 (2.88893e-10% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.329316110458442 (1.18366e-10% change)
linmin: converged after 3 iterations.
iteration 71: trace = 6.32931611045135 (1.12052e-10% change)
linmin: converged after 6 iterations.
iteration 72: trace = 6.329316110445689 (8.94308e-11% change)
Finished solving for bands 1 to 8 after 72 iterations.
tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498
elapsed time for k point: 1.1159732341766357
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.392697535386882 (0.520011% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.375242987163942 (0.273412% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.370715447410408 (0.0710428% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.368209751381263 (0.0393392% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.366423963655603 (0.0280462% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.365418547572471 (0.0157937% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.364762758268691 (0.0103029% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.364505247164775 (0.00404597% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.364314495047947 (0.00299717% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.364187767542588 (0.00199124% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.364105946449937 (0.00128566% change)
large trace change predicted (0.00305019%)
linmin: converged after 4 iterations.
iteration 12: trace = 6.363911973027979 (0.00304798% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 13: trace = 6.361499392011474 (0.0379175% change)
linmin: converged after 17 iterations.
iteration 14: trace = 6.360271253669679 (0.0193077% change)
linmin: converged after 6 iterations.
iteration 15: trace = 6.359373214130635 (0.0141205% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.358557209865869 (0.0128323% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.357758831376815 (0.0125568% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.35695020028015 (0.0127196% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.356111990994002 (0.0131866% change)
linmin: converged after 5 iterations.
iteration 20: trace = 6.355220830187315 (0.0140215% change)
linmin: converged after 7 iterations.
iteration 21: trace = 6.354246050292112 (0.0153394% change)
linmin: converged after 7 iterations.
iteration 22: trace = 6.353159590078924 (0.0170996% change)
linmin: converged after 5 iterations.
iteration 23: trace = 6.35196059587473 (0.0188742% change)
linmin: converged after 7 iterations.
iteration 24: trace = 6.350699107250833 (0.0198618% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.349457731438005 (0.019549% change)
linmin: converged after 6 iterations.
iteration 26: trace = 6.348291251576054 (0.018373% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.347197527381277 (0.0172301% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.346140279328147 (0.0166583% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.345081032208443 (0.0166926% change)
linmin: converged after 6 iterations.
iteration 30: trace = 6.343998846697296 (0.017057% change)
linmin: converged after 9 iterations.
iteration 31: trace = 6.342897532952846 (0.0173614% change)
linmin: converged after 6 iterations.
iteration 32: trace = 6.341800207534998 (0.0173016% change)
linmin: converged after 5 iterations.
iteration 33: trace = 6.340733702023742 (0.0168185% change)
linmin: converged after 6 iterations.
iteration 34: trace = 6.339713171756136 (0.0160961% change)
linmin: converged after 10 iterations.
iteration 35: trace = 6.338736461829757 (0.0154074% change)
linmin: converged after 6 iterations.
iteration 36: trace = 6.33778783665264 (0.0149666% change)
linmin: converged after 5 iterations.
iteration 37: trace = 6.336845169256096 (0.0148749% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.335886962176028 (0.0151223% change)
linmin: converged after 5 iterations.
iteration 39: trace = 6.334899165822387 (0.0155917% change)
linmin: converged after 5 iterations.
iteration 40: trace = 6.333882730716306 (0.0160463% change)
linmin: converged after 7 iterations.
iteration 41: trace = 6.33286010313808 (0.0161467% change)
linmin: converged after 7 iterations.
iteration 42: trace = 6.331873203918613 (0.015585% change)
linmin: converged after 5 iterations.
iteration 43: trace = 6.330966235762773 (0.0143249% change)
linmin: converged after 5 iterations.
iteration 44: trace = 6.330163751312972 (0.0126763% change)
linmin: converged after 4 iterations.
iteration 45: trace = 6.329463856162633 (0.0110571% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.328847345078376 (0.00974081% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.328289355750378 (0.00881699% change)
linmin: converged after 5 iterations.
iteration 48: trace = 6.327766397496983 (0.00826416% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.327259336647544 (0.00801359% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.326754564654965 (0.00797805% change)
linmin: converged after 4 iterations.
iteration 51: trace = 6.326244564109935 (0.00806134% change)
linmin: converged after 4 iterations.
iteration 52: trace = 6.325727895894234 (0.00816739% change)
linmin: converged after 5 iterations.
iteration 53: trace = 6.325208013920704 (0.00821887% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.324690671181235 (0.0081794% change)
linmin: converged after 4 iterations.
iteration 55: trace = 6.324180794620297 (0.00806201% change)
linmin: converged after 6 iterations.
iteration 56: trace = 6.323680328087471 (0.00791385% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.32318781492698 (0.0077887% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.322699274017141 (0.00772648% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.322209415642527 (0.00774791% change)
linmin: converged after 5 iterations.
iteration 60: trace = 6.321712489184559 (0.00786032% change)
linmin: converged after 5 iterations.
iteration 61: trace = 6.321202501922708 (0.00806756% change)
linmin: converged after 6 iterations.
iteration 62: trace = 6.320672900221528 (0.00837853% change)
linmin: converged after 6 iterations.
iteration 63: trace = 6.320116030645042 (0.00881068% change)
linmin: converged after 6 iterations.
iteration 64: trace = 6.319522825865787 (0.00938642% change)
linmin: converged after 5 iterations.
iteration 65: trace = 6.318883234645984 (0.0101214% change)
linmin: converged after 5 iterations.
iteration 66: trace = 6.318187959672148 (0.0110037% change)
linmin: converged after 6 iterations.
iteration 67: trace = 6.31743189423737 (0.0119672% change)
linmin: converged after 9 iterations.
iteration 68: trace = 6.316618757955095 (0.0128721% change)
linmin: converged after 6 iterations.
iteration 69: trace = 6.315764596548945 (0.0135234% change)
resetting CG direction...
large trace change predicted (0.188887%)
linmin: converged after 4 iterations.
iteration 70: trace = 6.30377483351079 (0.190019% change)
linmin: converged after 4 iterations.
iteration 71: trace = 6.300359863163028 (0.0541881% change)
linmin: converged after 4 iterations.
iteration 72: trace = 6.299320135225627 (0.016504% change)
linmin: converged after 4 iterations.
iteration 73: trace = 6.299061113389838 (0.00411199% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.29894674000712 (0.00181574% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.298877873119761 (0.00109331% change)
linmin: converged after 4 iterations.
iteration 76: trace = 6.298793443318489 (0.0013404% change)
linmin: converged after 5 iterations.
iteration 77: trace = 6.298725836212253 (0.00107334% change)
linmin: converged after 4 iterations.
iteration 78: trace = 6.298682922239421 (0.000681314% change)
linmin: converged after 3 iterations.
iteration 79: trace = 6.298642200531368 (0.000646514% change)
linmin: converged after 3 iterations.
iteration 80: trace = 6.298616546133387 (0.000407301% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.298604022115915 (0.000198838% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.298598783826391 (8.31659e-05% change)
linmin: converged after 6 iterations.
iteration 83: trace = 6.298597353919131 (2.2702e-05% change)
linmin: converged after 13 iterations.
iteration 84: trace = 6.298596364652583 (1.57061e-05% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.298595759885517 (9.60162e-06% change)
linmin: converged after 4 iterations.
iteration 86: trace = 6.298595315598257 (7.05375e-06% change)
linmin: converged after 2 iterations.
iteration 87: trace = 6.298595099396957 (3.43253e-06% change)
linmin: converged after 8 iterations.
iteration 88: trace = 6.298595020017621 (1.26027e-06% change)
linmin: converged after 4 iterations.
iteration 89: trace = 6.298594974687637 (7.19684e-07% change)
linmin: converged after 7 iterations.
iteration 90: trace = 6.298594929333673 (7.20065e-07% change)
linmin: converged after 5 iterations.
iteration 91: trace = 6.298594895483319 (5.37427e-07% change)
linmin: converged after 4 iterations.
iteration 92: trace = 6.298594877344432 (2.87983e-07% change)
linmin: converged after 4 iterations.
iteration 93: trace = 6.298594868820416 (1.35332e-07% change)
linmin: converged after 5 iterations.
iteration 94: trace = 6.298594864524636 (6.82022e-08% change)
linmin: converged after 2 iterations.
iteration 95: trace = 6.298594862453144 (3.28882e-08% change)
linmin: converged after 4 iterations.
iteration 96: trace = 6.298594861905874 (8.68876e-09% change)
linmin: converged after 19 iterations.
iteration 97: trace = 6.298594861732207 (2.75724e-09% change)
linmin: converged after 3 iterations.
iteration 98: trace = 6.298594861685732 (7.3786e-10% change)
linmin: converged after 3 iterations.
iteration 99: trace = 6.298594861667191 (2.94363e-10% change)
linmin: converged after 3 iterations.
iteration 100: trace = 6.298594861658075 (1.44735e-10% change)
linmin: converged after 3 iterations.
iteration 101: trace = 6.29859486165409 (6.32722e-11% change)
Finished solving for bands 1 to 8 after 101 iterations.
tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591
elapsed time for k point: 1.181386947631836
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.306563987178494 (0.575322% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.289554233361261 (0.270079% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.285540394324921 (0.0638379% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.283792833051483 (0.0278067% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.282960247916499 (0.0132506% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.282722744170792 (0.0037802% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.282637992352109 (0.00134898% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.282617671090529 (0.000323452% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.282612484408679 (8.25561e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 6.282610016564533 (3.92805e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.282609109449735 (1.44385e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.282608783832897 (5.18283e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 6.28260865850598 (1.99482e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 6.282608607802819 (8.0704e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.282608579576467 (4.49278e-07% change)
linmin: converged after 10 iterations.
iteration 16: trace = 6.282608566246183 (2.12178e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 6.282608558481403 (1.23592e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.282608555131914 (5.33137e-08% change)
linmin: converged after 16 iterations.
iteration 19: trace = 6.282608553958246 (1.86812e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.282608553518156 (7.0049e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.282608553300054 (3.47151e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 6.282608553189004 (1.76759e-09% change)
linmin: converged after 5 iterations.
iteration 23: trace = 6.282608553137472 (8.2022e-10% change)
linmin: converged after 8 iterations.
iteration 24: trace = 6.282608553118511 (3.01813e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.28260855311304 (8.70845e-11% change)
Finished solving for bands 1 to 8 after 25 iterations.
tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367
elapsed time for k point: 0.19170093536376953
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.317975067843477 (0.565733% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.302973191718284 (0.23773% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.299244438393602 (0.0591761% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.297766221418353 (0.0234693% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.297098741183249 (0.0105992% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.29692785760085 (0.00271372% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.296859980232909 (0.00107795% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.296840480940103 (0.000309667% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.296835118565327 (8.51598e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.296832556246105 (4.06922e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 6.296831447029665 (1.76155e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.296831011555446 (6.91577e-06% change)
linmin: converged after 17 iterations.
iteration 13: trace = 6.296830859588104 (2.41339e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 6.29683081631859 (6.87163e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.29683079971514 (2.63679e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.296830794163728 (8.8162e-08% change)
linmin: converged after 6 iterations.
iteration 17: trace = 6.296830791811519 (3.73554e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 6.296830790795292 (1.61387e-08% change)
linmin: converged after 14 iterations.
iteration 19: trace = 6.296830790487549 (4.88727e-09% change)
linmin: converged after 21 iterations.
iteration 20: trace = 6.29683079038124 (1.68829e-09% change)
linmin: converged after 11 iterations.
iteration 21: trace = 6.296830790332562 (7.73062e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 6.29683079030516 (4.35173e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.296830790293806 (1.80306e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 6.296830790289763 (6.42067e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734
elapsed time for k point: 0.36363816261291504
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.373209112054111 (0.562684% change)
linmin: converged after 6 iterations.
iteration 2: trace = 6.360316161579064 (0.202504% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.357504912854586 (0.0442096% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.356585097685735 (0.0144692% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.356232830306038 (0.00554192% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.356142086160624 (0.00142765% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.356092254703357 (0.000783992% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.356067894802454 (0.000383254% change)
linmin: converged after 6 iterations.
iteration 9: trace = 6.356057959422968 (0.000156313% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.356053442445724 (7.10657e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.356051425803913 (3.17279e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.356050456386635 (1.52519e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.356050073440095 (6.02491e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.356049967376735 (1.6687e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.356049919529141 (7.52788e-07% change)
linmin: converged after 28 iterations.
iteration 16: trace = 6.356049901388708 (2.85404e-07% change)
linmin: converged after 23 iterations.
iteration 17: trace = 6.356049892735019 (1.36149e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.356049887839802 (7.70166e-08% change)
linmin: converged after 14 iterations.
iteration 19: trace = 6.356049885347 (3.92194e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.356049883857859 (2.34287e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.356049883361588 (7.80785e-09% change)
linmin: converged after 9 iterations.
iteration 22: trace = 6.356049883209116 (2.39885e-09% change)
linmin: converged after 11 iterations.
iteration 23: trace = 6.356049883160932 (7.5809e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 6.356049883141623 (3.03789e-10% change)
linmin: converged after 7 iterations.
iteration 25: trace = 6.356049883134007 (1.19811e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.356049883130337 (5.77395e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885
elapsed time for k point: 0.4225285053253174
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.484406768772931 (0.576704% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.471730173738512 (0.195685% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.469268167065866 (0.0380497% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.468362479664611 (0.0140008% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.468081016953734 (0.00435147% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.468019507054692 (0.000950981% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.467983140883332 (0.000562247% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.467960050007465 (0.000357003% change)
linmin: converged after 5 iterations.
iteration 9: trace = 6.467927172636561 (0.000508313% change)
linmin: converged after 5 iterations.
iteration 10: trace = 6.467898270580582 (0.000446853% change)
linmin: converged after 10 iterations.
iteration 11: trace = 6.467871940836226 (0.000407084% change)
linmin: converged after 10 iterations.
iteration 12: trace = 6.467850751198577 (0.000327614% change)
linmin: converged after 7 iterations.
iteration 13: trace = 6.467835734516946 (0.000232174% change)
linmin: converged after 10 iterations.
iteration 14: trace = 6.467812737195286 (0.000355565% change)
large trace change predicted (0.000926251%)
linmin: converged after 3 iterations.
iteration 15: trace = 6.467752878039142 (0.000925497% change)
large trace change predicted (0.00336724%)
linmin: converged after 11 iterations.
iteration 16: trace = 6.467537992289778 (0.00332247% change)
large trace change predicted (0.0076428%)
linmin: converged after 6 iterations.
iteration 17: trace = 6.467054240856515 (0.00747996% change)
linmin: converged after 6 iterations.
iteration 18: trace = 6.466680782268256 (0.00577495% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.466506550440164 (0.00269434% change)
linmin: converged after 8 iterations.
iteration 20: trace = 6.466437876281591 (0.001062% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.466417072562876 (0.000321719% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.466410918629861 (9.51676e-05% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.46640927950021 (2.53484e-05% change)
linmin: converged after 2 iterations.
iteration 24: trace = 6.466408508489901 (1.19233e-05% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.466407804625891 (1.08849e-05% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.466407055859862 (1.15793e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.466406660054711 (6.12094e-06% change)
linmin: converged after 6 iterations.
iteration 28: trace = 6.466406474887561 (2.86352e-06% change)
linmin: converged after 2 iterations.
iteration 29: trace = 6.466406394960384 (1.23604e-06% change)
linmin: converged after 2 iterations.
iteration 30: trace = 6.466406364405307 (4.7252e-07% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.466406353488566 (1.68822e-07% change)
linmin: converged after 29 iterations.
iteration 32: trace = 6.466406348132334 (8.28317e-08% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.466406341484168 (1.02811e-07% change)
large trace change predicted (2.07296e-07%)
linmin: converged after 2 iterations.
iteration 34: trace = 6.466406328079522 (2.07297e-07% change)
large trace change predicted (4.9286e-07%)
linmin: converged after 3 iterations.
iteration 35: trace = 6.466406296209299 (4.92858e-07% change)
large trace change predicted (1.36399e-06%)
linmin: converged after 5 iterations.
iteration 36: trace = 6.466406208006756 (1.36401e-06% change)
large trace change predicted (3.01516e-06%)
linmin: converged after 6 iterations.
iteration 37: trace = 6.46640601302609 (3.01529e-06% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.466405815025164 (3.06199e-06% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.466405733870723 (1.25502e-06% change)
linmin: converged after 10 iterations.
iteration 40: trace = 6.466405707776289 (4.03538e-07% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.466405697328108 (1.61576e-07% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.466405689145759 (1.26536e-07% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.466405679866695 (1.43496e-07% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.466405673447975 (9.92626e-08% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.466405669427485 (6.2175e-08% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.466405667382207 (3.16293e-08% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.466405666184069 (1.85287e-08% change)
linmin: converged after 2 iterations.
iteration 48: trace = 6.466405665512342 (1.03879e-08% change)
linmin: converged after 10 iterations.
iteration 49: trace = 6.466405664658528 (1.32038e-08% change)
large trace change predicted (3.62388e-08%)
linmin: converged after 19 iterations.
iteration 50: trace = 6.466405662315172 (3.62389e-08% change)
large trace change predicted (1.23484e-07%)
linmin: converged after 2 iterations.
iteration 51: trace = 6.466405654330202 (1.23484e-07% change)
large trace change predicted (2.49052e-07%)
linmin: converged after 4 iterations.
iteration 52: trace = 6.466405638225295 (2.49055e-07% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.466405616910763 (3.29619e-07% change)
linmin: converged after 20 iterations.
iteration 54: trace = 6.466405589352709 (4.26173e-07% change)
linmin: converged after 7 iterations.
iteration 55: trace = 6.466405565247541 (3.72775e-07% change)
linmin: converged after 10 iterations.
iteration 56: trace = 6.466405553446517 (1.82497e-07% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.466405548896816 (7.0359e-08% change)
linmin: converged after 2 iterations.
iteration 58: trace = 6.466405546945157 (3.01815e-08% change)
linmin: converged after 3 iterations.
iteration 59: trace = 6.466405546068716 (1.35538e-08% change)
linmin: converged after 4 iterations.
iteration 60: trace = 6.466405545766956 (4.66657e-09% change)
linmin: converged after 2 iterations.
iteration 61: trace = 6.466405545619112 (2.28635e-09% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.466405545535531 (1.29253e-09% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.466405545465535 (1.08246e-09% change)
linmin: converged after 8 iterations.
iteration 64: trace = 6.466405545408477 (8.82368e-10% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.466405545374013 (5.32984e-10% change)
linmin: converged after 6 iterations.
iteration 66: trace = 6.466405545356618 (2.68992e-10% change)
linmin: converged after 2 iterations.
iteration 67: trace = 6.466405545350629 (9.26307e-11% change)
Finished solving for bands 2 to 8 after 67 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334
.elapsed time for k point: 0.39818263053894043
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972591 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.5203183590840936 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454928 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.5763358596513117 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618376 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.8161730293674928 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140964 at Vector3<0.0, 0.0, 0.0>
Band 5 range: 0.8385562359606967 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.9220849425898029 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 1.016865668391553 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418435 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 7 range: 1.0184507253059416 at Vector3<0.0, 0.0, 0.0> to 1.1593702273707196 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 8 range: 1.1636719050364384 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839870785 at Vector3<0.0, 0.0, 0.0>
Gap from band 3 (0.7880878930618376) to band 4 (0.8161730293674928), 3.5013177610941177%
Gap from band 5 (0.9220849425898029) to band 6 (1.016865668391553), 9.776497169649813%
Gap from band 7 (1.1593702273707196) to band 8 (1.1636719050364384), 0.370348656678157%
total elapsed time for run: 11.904525518417358
done
/tmp/meepNmMUdV/test_honey_rods-0: 19.50s
/tmp/meepNmMUdV/test_line_defect-0
========================
Initializing eigensolver data
Computing 12 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 224 x 1.
Solving for 6 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(6.06218, -3.5, 0)
(0, 0, 1)
Cell volume = 6.06218
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.0824786, -0.142857, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,3,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-3,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
6 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.10000000000000005, 0.3500000000000001, 0.0>
Vector3<0.2000000000000001, 0.7000000000000002, 0.0>
Vector3<0.30000000000000016, 1.0500000000000003, 0.0>
Vector3<0.4000000000000002, 1.4000000000000004, 0.0>
Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
elapsed time for initialization: 0.03427720069885254
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12
Solving for bands 2 to 7...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 1.196766755531376 (199.611% change)
linmin: converged after 9 iterations.
iteration 2: trace = 0.3074317174581377 (118.247% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.2844524853025026 (7.76477% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.2812371807197167 (1.13677% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.2805321379624339 (0.251008% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.2804620372438205 (0.0249916% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2804497808436863 (0.00437017% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2804487080528689 (0.000382526% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.2804485287729153 (6.39261e-05% change)
linmin: converged after 8 iterations.
iteration 10: trace = 0.2804485117540474 (6.06845e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.2804485091314581 (9.35141e-07% change)
linmin: converged after 8 iterations.
iteration 12: trace = 0.2804485089210583 (7.50226e-08% change)
linmin: converged after 12 iterations.
iteration 13: trace = 0.2804485089016305 (6.9274e-09% change)
linmin: converged after 5 iterations.
iteration 14: trace = 0.2804485088974218 (1.50072e-09% change)
linmin: converged after 15 iterations.
iteration 15: trace = 0.280448508897052 (1.31866e-10% change)
linmin: converged after 6 iterations.
iteration 16: trace = 0.2804485088969895 (2.22877e-11% change)
Finished solving for bands 2 to 7 after 16 iterations.
Solving for bands 8 to 12...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 5.347589493999721 (197.909% change)
linmin: converged after 9 iterations.
iteration 2: trace = 1.508143754927859 (112.007% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.30885203849705 (14.1492% change)
linmin: converged after 6 iterations.
iteration 4: trace = 1.247987481329593 (4.76092% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.226166609694067 (1.76391% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.220205207652072 (0.487367% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.218622738880573 (0.129773% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.217964901842118 (0.0539966% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.217640474833299 (0.0266404% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.217144671073498 (0.0407267% change)
large trace change predicted (0.10801%)
linmin: converged after 6 iterations.
iteration 11: trace = 1.215926777209399 (0.100112% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.214943060555842 (0.0809354% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.214347551188175 (0.0490274% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.213914363082397 (0.0356789% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.213500547607439 (0.0340952% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.212959722484556 (0.0445773% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.212519538880453 (0.0362966% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.212248726511906 (0.0223372% change)
linmin: converged after 3 iterations.
iteration 19: trace = 1.212140684769638 (0.0089129% change)
linmin: converged after 3 iterations.
iteration 20: trace = 1.212099650116126 (0.00338536% change)
linmin: converged after 3 iterations.
iteration 21: trace = 1.212045003915325 (0.00450849% change)
linmin: converged after 4 iterations.
iteration 22: trace = 1.211966020314504 (0.00651677% change)
linmin: converged after 3 iterations.
iteration 23: trace = 1.211907378935237 (0.00483865% change)
linmin: converged after 3 iterations.
iteration 24: trace = 1.211861221840146 (0.0038087% change)
linmin: converged after 4 iterations.
iteration 25: trace = 1.211829202049093 (0.00264223% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.211809541117955 (0.00162243% change)
linmin: converged after 3 iterations.
iteration 27: trace = 1.211778805378116 (0.00253638% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.211738643161111 (0.00331437% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.211698946648672 (0.00327605% change)
linmin: converged after 12 iterations.
iteration 30: trace = 1.211675291898178 (0.00195222% change)
linmin: converged after 4 iterations.
iteration 31: trace = 1.211662280998979 (0.0010738% change)
linmin: converged after 6 iterations.
iteration 32: trace = 1.211643382935836 (0.00155969% change)
linmin: converged after 3 iterations.
iteration 33: trace = 1.21162659992948 (0.00138515% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.211614078076388 (0.00103348% change)
linmin: converged after 3 iterations.
iteration 35: trace = 1.211602453573654 (0.000959427% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.211598303621 (0.000342518% change)
linmin: converged after 5 iterations.
iteration 37: trace = 1.211596448985042 (0.000153074% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.211594613230226 (0.000151515% change)
linmin: converged after 3 iterations.
iteration 39: trace = 1.211592534408696 (0.000171577% change)
linmin: converged after 4 iterations.
iteration 40: trace = 1.211590947233665 (0.000130999% change)
linmin: converged after 3 iterations.
iteration 41: trace = 1.211590215638927 (6.0383e-05% change)
linmin: converged after 3 iterations.
iteration 42: trace = 1.211589891730514 (2.67342e-05% change)
linmin: converged after 6 iterations.
iteration 43: trace = 1.211589741312548 (1.24149e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 1.211589683153671 (4.80021e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 1.211589639031611 (3.64167e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 1.211589594611976 (3.66623e-06% change)
linmin: converged after 16 iterations.
iteration 47: trace = 1.21158956839903 (2.16352e-06% change)
linmin: converged after 5 iterations.
iteration 48: trace = 1.211589556367128 (9.93067e-07% change)
linmin: converged after 12 iterations.
iteration 49: trace = 1.211589549125041 (5.97734e-07% change)
linmin: converged after 2 iterations.
iteration 50: trace = 1.2115895441677 (4.0916e-07% change)
linmin: converged after 2 iterations.
iteration 51: trace = 1.211589539501929 (3.85095e-07% change)
linmin: converged after 3 iterations.
iteration 52: trace = 1.211589533344457 (5.08214e-07% change)
linmin: converged after 9 iterations.
iteration 53: trace = 1.211589524572527 (7.24002e-07% change)
linmin: converged after 4 iterations.
iteration 54: trace = 1.211589518683627 (4.86047e-07% change)
linmin: converged after 3 iterations.
iteration 55: trace = 1.211589515923279 (2.27829e-07% change)
linmin: converged after 4 iterations.
iteration 56: trace = 1.211589512935591 (2.46592e-07% change)
linmin: converged after 4 iterations.
iteration 57: trace = 1.211589509905646 (2.5008e-07% change)
linmin: converged after 2 iterations.
iteration 58: trace = 1.211589507242269 (2.19825e-07% change)
linmin: converged after 2 iterations.
iteration 59: trace = 1.211589504814006 (2.0042e-07% change)
linmin: converged after 8 iterations.
iteration 60: trace = 1.211589503458499 (1.11878e-07% change)
linmin: converged after 4 iterations.
iteration 61: trace = 1.211589502828647 (5.19856e-08% change)
linmin: converged after 4 iterations.
iteration 62: trace = 1.211589502438252 (3.22217e-08% change)
linmin: converged after 4 iterations.
iteration 63: trace = 1.211589502003797 (3.58582e-08% change)
linmin: converged after 4 iterations.
iteration 64: trace = 1.211589501370284 (5.22878e-08% change)
linmin: converged after 3 iterations.
iteration 65: trace = 1.211589501031977 (2.79226e-08% change)
linmin: converged after 3 iterations.
iteration 66: trace = 1.211589500878287 (1.2685e-08% change)
linmin: converged after 3 iterations.
iteration 67: trace = 1.21158950079275 (7.05987e-09% change)
linmin: converged after 2 iterations.
iteration 68: trace = 1.211589500767795 (2.05974e-09% change)
linmin: converged after 2 iterations.
iteration 69: trace = 1.21158950075596 (9.76814e-10% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 1.21158950075149 (3.68917e-10% change)
linmin: converged after 3 iterations.
iteration 71: trace = 1.211589500746368 (4.22797e-10% change)
linmin: converged after 7 iterations.
iteration 72: trace = 1.211589500739956 (5.29166e-10% change)
linmin: converged after 2 iterations.
iteration 73: trace = 1.211589500735592 (3.60212e-10% change)
linmin: converged after 3 iterations.
iteration 74: trace = 1.211589500732078 (2.90002e-10% change)
linmin: converged after 3 iterations.
iteration 75: trace = 1.21158950073009 (1.64134e-10% change)
linmin: converged after 3 iterations.
iteration 76: trace = 1.211589500729285 (6.64527e-11% change)
Finished solving for bands 8 to 12 after 76 iterations.
Finished k-point with 39.6667 mean iterations/band.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123
elapsed time for k point: 8.747718095779419
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/meepNmMUdV/test_line_defect-0-e.k01.b01.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b02.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b03.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b04.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b05.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b06.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b07.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b08.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b09.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b10.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b11.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k01.b12.z.tm.h5...
solve_kpoint (0.1,0.35,0):
Solving for bands 1 to 6...
linmin: converged after 6 iterations.
iteration 1: trace = 0.1859754481091568 (4.37841% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1858559071650495 (0.0642985% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.1858523719592242 (0.00190214% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.185852279461953 (4.97692e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1858522774470825 (1.08412e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1858522773945269 (2.82781e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1858522773930404 (7.99847e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1858522773929406 (5.37184e-11% change)
Finished solving for bands 1 to 6 after 8 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.339583206386292 (1.2622% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.330637626458423 (0.670025% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.32635914351785 (0.322054% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.324059417050729 (0.173537% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.322335659992566 (0.130272% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.321900842349925 (0.032888% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.321789582191028 (0.00841703% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.321750554891297 (0.00295265% change)
linmin: converged after 17 iterations.
iteration 9: trace = 1.321739521847481 (0.000834733% change)
linmin: converged after 7 iterations.
iteration 10: trace = 1.32172572941 (0.00104351% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.321717827627019 (0.00059784% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.321715607967652 (0.000167938% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.321714313062615 (9.79716e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.321713670509885 (4.86151e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.321713167839179 (3.80317e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.321712690348121 (3.61267e-05% change)
linmin: converged after 5 iterations.
iteration 17: trace = 1.321712534926184 (1.17591e-05% change)
linmin: converged after 5 iterations.
iteration 18: trace = 1.32171245068828 (6.37339e-06% change)
linmin: converged after 10 iterations.
iteration 19: trace = 1.32171239202251 (4.43862e-06% change)
linmin: converged after 21 iterations.
iteration 20: trace = 1.321712300288046 (6.94058e-06% change)
linmin: converged after 6 iterations.
iteration 21: trace = 1.321712123338654 (1.33879e-05% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.321712019293129 (7.87203e-06% change)
linmin: converged after 5 iterations.
iteration 23: trace = 1.321711840507513 (1.35268e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 1.321711646560349 (1.46739e-05% change)
linmin: converged after 5 iterations.
iteration 25: trace = 1.32171153630515 (8.34185e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 1.321711488278091 (3.6337e-06% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.321711471300561 (1.28451e-06% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.321711467138105 (3.14929e-07% change)
linmin: converged after 2 iterations.
iteration 29: trace = 1.321711466116482 (7.72955e-08% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.321711465723406 (2.97399e-08% change)
linmin: converged after 2 iterations.
iteration 31: trace = 1.321711465580958 (1.07776e-08% change)
linmin: converged after 12 iterations.
iteration 32: trace = 1.321711465510911 (5.29973e-09% change)
linmin: converged after 2 iterations.
iteration 33: trace = 1.321711465480893 (2.27109e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 1.321711465470898 (7.56242e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 1.321711465466492 (3.33341e-10% change)
linmin: converged after 3 iterations.
iteration 36: trace = 1.321711465464968 (1.15297e-10% change)
linmin: converged after 5 iterations.
iteration 37: trace = 1.321711465463817 (8.71069e-11% change)
Finished solving for bands 7 to 12 after 37 iterations.
Finished k-point with 22.5 mean iterations/band.
tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413
elapsed time for k point: 4.618775844573975
Fixing e-field (band 1) phase by -1 + 2.71662e-09i; max ampl. = 0.279221
Fixing e-field (band 2) phase by 0.0662269 + 0.997805i; max ampl. = 0.368961
Fixing e-field (band 3) phase by 1 + -3.08243e-07i; max ampl. = 0.357513
Fixing e-field (band 4) phase by -0.00791531 + -0.999969i; max ampl. = 0.410959
Fixing e-field (band 5) phase by -1 + 1.15879e-06i; max ampl. = 0.464942
Fixing e-field (band 6) phase by 0.000717308 + 1i; max ampl. = 0.463983
Fixing e-field (band 7) phase by 1 + 1.05437e-08i; max ampl. = 0.893105
Fixing e-field (band 8) phase by -1 + 4.80896e-06i; max ampl. = 0.585113
Fixing e-field (band 9) phase by 2.4468e-05 + -1i; max ampl. = 0.51118
Fixing e-field (band 10) phase by 1 + 8.06373e-05i; max ampl. = 0.50134
Fixing e-field (band 11) phase by 2.03311e-05 + 1i; max ampl. = 0.518018
Fixing e-field (band 12) phase by -0.000314767 + -1i; max ampl. = 0.377816
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b01.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b02.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b03.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b04.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b05.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b06.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b07.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b08.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b09.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b10.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b11.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k02.b12.z.tm.h5...
solve_kpoint (0.2,0.7,0):
Solving for bands 1 to 6...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2388580307782937 (6.66113% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2385221713841856 (0.140709% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.2385114100977178 (0.00451175% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.2385111473622856 (0.000110156% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2385111400807255 (3.05292e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2385111399219118 (6.65854e-08% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.2385111399179209 (1.67324e-09% change)
linmin: converged after 6 iterations.
iteration 8: trace = 0.2385111399178054 (4.84333e-11% change)
Finished solving for bands 1 to 6 after 8 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.328636670020124 (1.75254% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.320923404602893 (0.58223% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.31830807614734 (0.198189% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.317956425799536 (0.0266779% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.317882727764998 (0.005592% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.317830321375499 (0.00397664% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.317816402655878 (0.00105619% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.31780603387865 (0.000786818% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.317799113936861 (0.000525112% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.317797254173948 (0.000141127% change)
linmin: converged after 5 iterations.
iteration 11: trace = 1.317796412525109 (6.38679e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.317796108428165 (2.30762e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 1.317796055313722 (4.03055e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 1.317796024469763 (2.34057e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 1.317796013250307 (8.5138e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.317796004194447 (6.87197e-07% change)
large trace change predicted (1.71398e-06%)
linmin: converged after 4 iterations.
iteration 17: trace = 1.317795981607712 (1.71398e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.317795944620041 (2.80678e-06% change)
large trace change predicted (6.37213e-06%)
linmin: converged after 3 iterations.
iteration 19: trace = 1.317795860650072 (6.372e-06% change)
linmin: converged after 12 iterations.
iteration 20: trace = 1.317795777380561 (6.31885e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 1.31779574800059 (2.22948e-06% change)
linmin: converged after 16 iterations.
iteration 22: trace = 1.317795733123424 (1.12894e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.317795727441445 (4.31173e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.317795724798869 (2.0053e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.317795723846536 (7.22671e-08% change)
linmin: converged after 2 iterations.
iteration 26: trace = 1.317795723608519 (1.80617e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.317795723503124 (7.99781e-09% change)
linmin: converged after 2 iterations.
iteration 28: trace = 1.317795723438862 (4.87649e-09% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.317795723419224 (1.49024e-09% change)
linmin: converged after 2 iterations.
iteration 30: trace = 1.317795723411639 (5.75552e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 1.317795723409143 (1.89407e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 1.31779572340844 (5.3363e-11% change)
Finished solving for bands 7 to 12 after 32 iterations.
Finished k-point with 20 mean iterations/band.
tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423
elapsed time for k point: 4.677049160003662
Fixing e-field (band 1) phase by 1 + -6.65617e-16i; max ampl. = 0.316626
Fixing e-field (band 2) phase by 6.78641e-12 + 1i; max ampl. = 0.383063
Fixing e-field (band 3) phase by 1 + -1.04398e-14i; max ampl. = 0.3761
Fixing e-field (band 4) phase by -8.71985e-10 + -1i; max ampl. = 0.424925
Fixing e-field (band 5) phase by 1 + 1.30469e-13i; max ampl. = 0.480327
Fixing e-field (band 6) phase by 5.09285e-10 + -1i; max ampl. = 0.472091
Fixing e-field (band 7) phase by 1 + -1.09166e-12i; max ampl. = 0.919529
Fixing e-field (band 8) phase by -1 + -1.67165e-11i; max ampl. = 0.593898
Fixing e-field (band 9) phase by 1.0908e-07 + 1i; max ampl. = 0.521242
Fixing e-field (band 10) phase by -1 + 3.8366e-10i; max ampl. = 0.454743
Fixing e-field (band 11) phase by 4.81344e-08 + 1i; max ampl. = 0.493615
Fixing e-field (band 12) phase by -1.96432e-06 + -1i; max ampl. = 0.473136
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b01.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b02.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b03.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b04.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b05.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b06.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b07.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b08.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b09.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b10.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b11.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k03.b12.z.tm.h5...
solve_kpoint (0.3,1.05,0):
Solving for bands 1 to 6...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3105199359398264 (8.73919% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3098465068863809 (0.217107% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.3098220243218767 (0.00790183% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3098213546274155 (0.000216155% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3098213374848053 (5.53306e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.3098213371379585 (1.11951e-07% change)
linmin: converged after 12 iterations.
iteration 7: trace = 0.3098213371286763 (2.99596e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.3098213371284357 (7.76529e-11% change)
Finished solving for bands 1 to 6 after 8 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.321059189141428 (2.52198% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.312228993799497 (0.670659% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.308669436182195 (0.271629% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.30752816825027 (0.0872463% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.30710837640601 (0.0321109% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.306967612857335 (0.0107697% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.306921046916447 (0.00356296% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.30690316799575 (0.00136803% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.306896582452536 (0.000503906% change)
linmin: converged after 5 iterations.
iteration 10: trace = 1.306894468965577 (0.000161718% change)
linmin: converged after 6 iterations.
iteration 11: trace = 1.306893729383213 (5.65908e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.306893106725554 (4.76441e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.306892656149497 (3.44769e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.30689237076729 (2.18367e-05% change)
linmin: converged after 7 iterations.
iteration 15: trace = 1.306892063585956 (2.35047e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.306891774968052 (2.20843e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.306891306623066 (3.58366e-05% change)
large trace change predicted (0.000143899%)
linmin: converged after 11 iterations.
iteration 18: trace = 1.306889429035959 (0.000143668% change)
large trace change predicted (0.000647086%)
linmin: converged after 6 iterations.
iteration 19: trace = 1.306881342257495 (0.000618783% change)
near maximum in trace
linmin: converged after 11 iterations.
iteration 20: trace = 1.306841864835477 (0.00302078% change)
linmin: converged after 7 iterations.
iteration 21: trace = 1.30681431727907 (0.00210797% change)
linmin: converged after 5 iterations.
iteration 22: trace = 1.306780215996903 (0.00260953% change)
linmin: converged after 7 iterations.
iteration 23: trace = 1.306736703688265 (0.00332979% change)
linmin: converged after 5 iterations.
iteration 24: trace = 1.306707762015391 (0.00221483% change)
linmin: converged after 6 iterations.
iteration 25: trace = 1.306694950184262 (0.000980471% change)
linmin: converged after 7 iterations.
iteration 26: trace = 1.306687572013256 (0.000564645% change)
linmin: converged after 5 iterations.
iteration 27: trace = 1.306683169874993 (0.000336894% change)
linmin: converged after 5 iterations.
iteration 28: trace = 1.306680461142352 (0.000207299% change)
linmin: converged after 3 iterations.
iteration 29: trace = 1.306678614061887 (0.000141357% change)
linmin: converged after 5 iterations.
iteration 30: trace = 1.306677292167454 (0.000101165% change)
linmin: converged after 3 iterations.
iteration 31: trace = 1.306676263847242 (7.86974e-05% change)
linmin: converged after 6 iterations.
iteration 32: trace = 1.306675403364562 (6.58528e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 1.306674673046392 (5.58913e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 1.306674108939373 (4.31712e-05% change)
linmin: converged after 3 iterations.
iteration 35: trace = 1.306673737743566 (2.84077e-05% change)
linmin: converged after 6 iterations.
iteration 36: trace = 1.30667351396107 (1.71261e-05% change)
linmin: converged after 6 iterations.
iteration 37: trace = 1.30667336254353 (1.1588e-05% change)
linmin: converged after 4 iterations.
iteration 38: trace = 1.306673228441995 (1.02628e-05% change)
linmin: converged after 5 iterations.
iteration 39: trace = 1.306673109728395 (9.08518e-06% change)
linmin: converged after 4 iterations.
iteration 40: trace = 1.306673026788126 (6.34744e-06% change)
linmin: converged after 4 iterations.
iteration 41: trace = 1.306672971290257 (4.24727e-06% change)
linmin: converged after 6 iterations.
iteration 42: trace = 1.306672931203631 (3.06784e-06% change)
linmin: converged after 7 iterations.
iteration 43: trace = 1.306672900420406 (2.35585e-06% change)
linmin: converged after 4 iterations.
iteration 44: trace = 1.306672873955531 (2.02536e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 1.30667284995383 (1.83686e-06% change)
linmin: converged after 2 iterations.
iteration 46: trace = 1.30667282803325 (1.67759e-06% change)
linmin: converged after 2 iterations.
iteration 47: trace = 1.306672808494411 (1.49531e-06% change)
linmin: converged after 14 iterations.
iteration 48: trace = 1.306672792916271 (1.1922e-06% change)
linmin: converged after 10 iterations.
iteration 49: trace = 1.306672780727505 (9.32809e-07% change)
linmin: converged after 11 iterations.
iteration 50: trace = 1.306672769619262 (8.50117e-07% change)
linmin: converged after 8 iterations.
iteration 51: trace = 1.30667275826849 (8.68677e-07% change)
linmin: converged after 4 iterations.
iteration 52: trace = 1.306672746661385 (8.88295e-07% change)
linmin: converged after 6 iterations.
iteration 53: trace = 1.306672734228445 (9.51496e-07% change)
linmin: converged after 3 iterations.
iteration 54: trace = 1.306672719745739 (1.10837e-06% change)
linmin: converged after 3 iterations.
iteration 55: trace = 1.306672703450572 (1.24707e-06% change)
linmin: converged after 3 iterations.
iteration 56: trace = 1.30667268574403 (1.35509e-06% change)
linmin: converged after 13 iterations.
iteration 57: trace = 1.306672664175223 (1.65067e-06% change)
linmin: converged after 3 iterations.
iteration 58: trace = 1.306672633630349 (2.33761e-06% change)
linmin: converged after 4 iterations.
iteration 59: trace = 1.306672591460604 (3.22726e-06% change)
linmin: converged after 3 iterations.
iteration 60: trace = 1.306672545961993 (3.48202e-06% change)
linmin: converged after 4 iterations.
iteration 61: trace = 1.306672503510987 (3.24879e-06% change)
linmin: converged after 6 iterations.
iteration 62: trace = 1.306672460349332 (3.30317e-06% change)
linmin: converged after 13 iterations.
iteration 63: trace = 1.306672416062792 (3.38926e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 1.306672371464127 (3.41315e-06% change)
linmin: converged after 7 iterations.
iteration 65: trace = 1.306672322038946 (3.78252e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 1.306672266788318 (4.22835e-06% change)
linmin: converged after 3 iterations.
iteration 67: trace = 1.306672213751226 (4.05894e-06% change)
linmin: converged after 6 iterations.
iteration 68: trace = 1.306672169749355 (3.36748e-06% change)
linmin: converged after 4 iterations.
iteration 69: trace = 1.306672130588269 (2.99701e-06% change)
resetting CG direction...
large trace change predicted (6.25532e-06%)
linmin: converged after 16 iterations.
iteration 70: trace = 1.306672048852402 (6.25527e-06% change)
linmin: converged after 2 iterations.
iteration 71: trace = 1.306672012705562 (2.76633e-06% change)
linmin: converged after 2 iterations.
iteration 72: trace = 1.306672000109404 (9.63988e-07% change)
linmin: converged after 2 iterations.
iteration 73: trace = 1.306671995821452 (3.28158e-07% change)
linmin: converged after 2 iterations.
iteration 74: trace = 1.306671993013895 (2.14863e-07% change)
linmin: converged after 2 iterations.
iteration 75: trace = 1.306671990411293 (1.99178e-07% change)
linmin: converged after 3 iterations.
iteration 76: trace = 1.30667198915404 (9.62179e-08% change)
linmin: converged after 25 iterations.
iteration 77: trace = 1.306671988478535 (5.16966e-08% change)
linmin: converged after 2 iterations.
iteration 78: trace = 1.306671987984886 (3.77791e-08% change)
linmin: converged after 3 iterations.
iteration 79: trace = 1.306671987250895 (5.61726e-08% change)
large trace change predicted (1.1298e-07%)
linmin: converged after 2 iterations.
iteration 80: trace = 1.306671985774619 (1.1298e-07% change)
large trace change predicted (2.50107e-07%)
linmin: converged after 3 iterations.
iteration 81: trace = 1.306671982506565 (2.50105e-07% change)
large trace change predicted (5.4206e-07%)
linmin: converged after 11 iterations.
iteration 82: trace = 1.306671975423662 (5.42057e-07% change)
linmin: converged after 8 iterations.
iteration 83: trace = 1.306671966779786 (6.61518e-07% change)
linmin: converged after 4 iterations.
iteration 84: trace = 1.306671961716131 (3.87523e-07% change)
linmin: converged after 4 iterations.
iteration 85: trace = 1.306671959301204 (1.84815e-07% change)
linmin: converged after 4 iterations.
iteration 86: trace = 1.306671956817843 (1.90052e-07% change)
linmin: converged after 2 iterations.
iteration 87: trace = 1.306671955127963 (1.29327e-07% change)
linmin: converged after 4 iterations.
iteration 88: trace = 1.306671954377692 (5.74185e-08% change)
linmin: converged after 4 iterations.
iteration 89: trace = 1.306671954035964 (2.61526e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 1.306671953899621 (1.04344e-08% change)
linmin: converged after 3 iterations.
iteration 91: trace = 1.306671953836773 (4.80977e-09% change)
linmin: converged after 5 iterations.
iteration 92: trace = 1.306671953798491 (2.92969e-09% change)
linmin: converged after 2 iterations.
iteration 93: trace = 1.306671953790936 (5.78209e-10% change)
linmin: converged after 6 iterations.
iteration 94: trace = 1.306671953788964 (1.50933e-10% change)
linmin: converged after 3 iterations.
iteration 95: trace = 1.306671953788107 (6.55595e-11% change)
Finished solving for bands 7 to 12 after 95 iterations.
Finished k-point with 51.5 mean iterations/band.
tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567
elapsed time for k point: 16.011311769485474
Fixing e-field (band 1) phase by 1 + -2.72416e-17i; max ampl. = 0.362092
Fixing e-field (band 2) phase by -1.83705e-11 + -1i; max ampl. = 0.407764
Fixing e-field (band 3) phase by -1 + -3.46211e-16i; max ampl. = 0.420136
Fixing e-field (band 4) phase by 8.98754e-12 + 1i; max ampl. = 0.446788
Fixing e-field (band 5) phase by 1 + 4.04091e-16i; max ampl. = 0.496332
Fixing e-field (band 6) phase by -2.36127e-11 + 1i; max ampl. = 0.481878
Fixing e-field (band 7) phase by 1 + -1.84978e-13i; max ampl. = 0.896831
Fixing e-field (band 8) phase by -4.84174e-12 + -1i; max ampl. = 0.458802
Fixing e-field (band 9) phase by -1 + -4.92353e-11i; max ampl. = 0.495105
Fixing e-field (band 10) phase by 1 + -1.34814e-12i; max ampl. = 0.483552
Fixing e-field (band 11) phase by -5.47238e-11 + 1i; max ampl. = 0.523494
Fixing e-field (band 12) phase by -1 + -6.896e-11i; max ampl. = 0.423458
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b01.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b02.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b03.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b04.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b05.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b06.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b07.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b08.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b09.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b10.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b11.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k04.b12.z.tm.h5...
solve_kpoint (0.4,1.4,0):
Solving for bands 1 to 6...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3762985016867429 (10.9545% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3750342117371674 (0.336546% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3749816076769492 (0.0140275% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3749802749522111 (0.000355411% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3749802409984997 (9.0548e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.3749802404009221 (1.59362e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.374980240382886 (4.80989e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.3749802403822896 (1.59037e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.3749802403822775 (3.22722e-12% change)
Finished solving for bands 1 to 6 after 9 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.298011037468976 (3.05087% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.290256309343067 (0.599222% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.288297984123772 (0.151893% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.287877230165745 (0.032665% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.287688339058738 (0.0146679% change)
linmin: converged after 3 iterations.
iteration 6: trace = 1.287483849663597 (0.0158816% change)
large trace change predicted (0.0565887%)
linmin: converged after 7 iterations.
iteration 7: trace = 1.286852872035689 (0.0490206% change)
large trace change predicted (1.10957%)
linmin: converged after 9 iterations.
iteration 8: trace = 1.285207985524536 (0.127904% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.283531768320604 (0.130509% change)
linmin: converged after 9 iterations.
iteration 10: trace = 1.280537500817555 (0.233556% change)
linmin: converged after 8 iterations.
iteration 11: trace = 1.277572726278301 (0.231794% change)
linmin: converged after 9 iterations.
iteration 12: trace = 1.275637347194566 (0.151604% change)
linmin: converged after 6 iterations.
iteration 13: trace = 1.274202244926636 (0.112564% change)
linmin: converged after 6 iterations.
iteration 14: trace = 1.273022593151316 (0.0926225% change)
linmin: converged after 8 iterations.
iteration 15: trace = 1.272080215512613 (0.0740542% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.271347536153105 (0.0576135% change)
linmin: converged after 8 iterations.
iteration 17: trace = 1.270883530954769 (0.0365038% change)
linmin: converged after 6 iterations.
iteration 18: trace = 1.270618409254573 (0.0208634% change)
linmin: converged after 6 iterations.
iteration 19: trace = 1.270378371272835 (0.0188932% change)
linmin: converged after 7 iterations.
iteration 20: trace = 1.270104933850805 (0.0215264% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.269895617280796 (0.0164816% change)
linmin: converged after 6 iterations.
iteration 22: trace = 1.269782882745059 (0.00887786% change)
linmin: converged after 7 iterations.
iteration 23: trace = 1.269719750687436 (0.004972% change)
linmin: converged after 6 iterations.
iteration 24: trace = 1.269676766451559 (0.00338539% change)
linmin: converged after 5 iterations.
iteration 25: trace = 1.269642283701054 (0.00271591% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.269619087414573 (0.00182701% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.269607472691354 (0.000914824% change)
linmin: converged after 6 iterations.
iteration 28: trace = 1.26960075952771 (0.00052876% change)
linmin: converged after 11 iterations.
iteration 29: trace = 1.269595125044792 (0.000443801% change)
linmin: converged after 6 iterations.
iteration 30: trace = 1.269590376582243 (0.000374015% change)
linmin: converged after 8 iterations.
iteration 31: trace = 1.269587297967761 (0.000242489% change)
linmin: converged after 5 iterations.
iteration 32: trace = 1.269585545822664 (0.000138009% change)
linmin: converged after 6 iterations.
iteration 33: trace = 1.269584427092741 (8.81178e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 1.269583608532197 (6.44747e-05% change)
linmin: converged after 6 iterations.
iteration 35: trace = 1.269583043842194 (4.44784e-05% change)
linmin: converged after 6 iterations.
iteration 36: trace = 1.269582710117496 (2.62862e-05% change)
linmin: converged after 11 iterations.
iteration 37: trace = 1.269582517553372 (1.51675e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 1.269582385132086 (1.04303e-05% change)
linmin: converged after 4 iterations.
iteration 39: trace = 1.269582283106135 (8.03618e-06% change)
linmin: converged after 4 iterations.
iteration 40: trace = 1.269582214899105 (5.3724e-06% change)
linmin: converged after 2 iterations.
iteration 41: trace = 1.269582174667709 (3.16887e-06% change)
linmin: converged after 4 iterations.
iteration 42: trace = 1.269582148213005 (2.08373e-06% change)
linmin: converged after 4 iterations.
iteration 43: trace = 1.269582127625049 (1.62163e-06% change)
linmin: converged after 4 iterations.
iteration 44: trace = 1.269582111948474 (1.23478e-06% change)
linmin: converged after 4 iterations.
iteration 45: trace = 1.269582102246501 (7.64186e-07% change)
linmin: converged after 5 iterations.
iteration 46: trace = 1.269582096787492 (4.29985e-07% change)
linmin: converged after 4 iterations.
iteration 47: trace = 1.269582093349984 (2.70759e-07% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.269582091147439 (1.73486e-07% change)
linmin: converged after 11 iterations.
iteration 49: trace = 1.26958208980672 (1.05603e-07% change)
linmin: converged after 5 iterations.
iteration 50: trace = 1.269582088919595 (6.98754e-08% change)
linmin: converged after 3 iterations.
iteration 51: trace = 1.269582088274996 (5.07726e-08% change)
linmin: converged after 3 iterations.
iteration 52: trace = 1.269582087760964 (4.04883e-08% change)
linmin: converged after 3 iterations.
iteration 53: trace = 1.269582087362722 (3.1368e-08% change)
linmin: converged after 7 iterations.
iteration 54: trace = 1.269582087136661 (1.7806e-08% change)
linmin: converged after 9 iterations.
iteration 55: trace = 1.269582087016048 (9.50018e-09% change)
linmin: converged after 7 iterations.
iteration 56: trace = 1.269582086921809 (7.42286e-09% change)
linmin: converged after 5 iterations.
iteration 57: trace = 1.269582086848856 (5.74622e-09% change)
linmin: converged after 3 iterations.
iteration 58: trace = 1.269582086811074 (2.97592e-09% change)
linmin: converged after 4 iterations.
iteration 59: trace = 1.269582086792603 (1.45489e-09% change)
linmin: converged after 7 iterations.
iteration 60: trace = 1.26958208678127 (8.92651e-10% change)
linmin: converged after 3 iterations.
iteration 61: trace = 1.269582086771783 (7.47295e-10% change)
linmin: converged after 3 iterations.
iteration 62: trace = 1.269582086762962 (6.94774e-10% change)
linmin: converged after 3 iterations.
iteration 63: trace = 1.269582086756905 (4.77081e-10% change)
linmin: converged after 3 iterations.
iteration 64: trace = 1.26958208675339 (2.76878e-10% change)
linmin: converged after 3 iterations.
iteration 65: trace = 1.269582086751108 (1.79758e-10% change)
linmin: converged after 4 iterations.
iteration 66: trace = 1.26958208674982 (1.01405e-10% change)
linmin: converged after 17 iterations.
iteration 67: trace = 1.269582086748789 (8.12391e-11% change)
Finished solving for bands 7 to 12 after 67 iterations.
Finished k-point with 38 mean iterations/band.
tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447
elapsed time for k point: 9.23960280418396
Fixing e-field (band 1) phase by 1 + -9.69749e-17i; max ampl. = 0.407996
Fixing e-field (band 2) phase by -6.32811e-12 + 1i; max ampl. = 0.441101
Fixing e-field (band 3) phase by -1 + -4.58358e-16i; max ampl. = 0.464954
Fixing e-field (band 4) phase by 6.04367e-12 + 1i; max ampl. = 0.46974
Fixing e-field (band 5) phase by 1 + -2.46288e-15i; max ampl. = 0.505749
Fixing e-field (band 6) phase by 1.97312e-11 + -1i; max ampl. = 0.483913
Fixing e-field (band 7) phase by 1 + 1.23558e-14i; max ampl. = 0.643734
Fixing e-field (band 8) phase by 1.15109e-11 + 1i; max ampl. = 0.465166
Fixing e-field (band 9) phase by -1 + 2.34675e-13i; max ampl. = 0.43823
Fixing e-field (band 10) phase by 2.15222e-13 + 1i; max ampl. = 0.518507
Fixing e-field (band 11) phase by -1 + 1.55569e-12i; max ampl. = 0.471405
Fixing e-field (band 12) phase by -5.02433e-14 + -1i; max ampl. = 0.443866
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b01.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b02.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b03.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b04.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b05.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b06.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b07.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b08.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b09.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b10.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b11.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k05.b12.z.tm.h5...
solve_kpoint (0.5,1.75,0):
Solving for bands 1 to 6...
linmin: converged after 5 iterations.
iteration 1: trace = 0.4044979732169221 (13.7656% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.402503461195553 (0.494302% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.4024212890120756 (0.0204174% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.4024194033576305 (0.000468578% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.4024193544035438 (1.21649e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.4024193537759778 (1.55948e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.4024193537536846 (5.5398e-09% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.4024193537529455 (1.83672e-10% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.4024193537529305 (3.72448e-12% change)
Finished solving for bands 1 to 6 after 9 iterations.
Solving for bands 7 to 12...
linmin: converged after 5 iterations.
iteration 1: trace = 1.246579896085778 (3.2355% change)
linmin: converged after 5 iterations.
iteration 2: trace = 1.241420423794865 (0.414749% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.240323895101538 (0.0883676% change)
linmin: converged after 4 iterations.
iteration 4: trace = 1.240074667273219 (0.0200958% change)
linmin: converged after 4 iterations.
iteration 5: trace = 1.240049955230067 (0.00199281% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.240046276550806 (0.000296656% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.240045445498691 (6.70179e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 1.240045287286185 (1.27586e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 1.240045263300232 (1.93428e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 1.240045258080152 (4.20959e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 1.240045257186143 (7.20948e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 1.240045257084784 (8.17386e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.240045257064697 (1.61986e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 1.24004525706123 (2.79533e-10% change)
linmin: converged after 3 iterations.
iteration 15: trace = 1.240045257060959 (2.18813e-11% change)
Finished solving for bands 7 to 12 after 15 iterations.
Finished k-point with 12 mean iterations/band.
tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569
elapsed time for k point: 3.0869290828704834
Fixing e-field (band 1) phase by 1 + -1.74815e-16i; max ampl. = 0.422882
Fixing e-field (band 2) phase by 3.28432e-12 + -1i; max ampl. = 0.466091
Fixing e-field (band 3) phase by -1 + -4.06835e-16i; max ampl. = 0.462198
Fixing e-field (band 4) phase by 1.59637e-11 + -1i; max ampl. = 0.471227
Fixing e-field (band 5) phase by -1 + 1.53943e-14i; max ampl. = 0.472309
Fixing e-field (band 6) phase by -2.37317e-11 + -1i; max ampl. = 0.476607
Fixing e-field (band 7) phase by 1 + 2.49106e-15i; max ampl. = 0.600013
Fixing e-field (band 8) phase by -7.61896e-13 + -1i; max ampl. = 0.468917
Fixing e-field (band 9) phase by 1 + -2.50349e-16i; max ampl. = 0.508553
Fixing e-field (band 10) phase by -9.38422e-13 + 1i; max ampl. = 0.472551
Fixing e-field (band 11) phase by 1 + 4.53592e-16i; max ampl. = 0.507635
Fixing e-field (band 12) phase by 5.92032e-13 + 1i; max ampl. = 0.465525
..Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b01.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b02.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b03.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b04.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b05.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b06.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b07.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b08.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b09.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b10.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b11.z.tm.h5...
Outputting fields to /tmp/meepNmMUdV/test_line_defect-0-e.k06.b12.z.tm.h5...
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.25635010535444464 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 2 range: 0.10088801014542104 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278243 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 3 range: 0.11054374616923925 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 4 range: 0.19143758098896235 at Vector3<0.0, 0.0, 0.0> to 0.2595707127898796 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 5 range: 0.2090774143742964 at Vector3<0.0, 0.0, 0.0> to 0.2647069574281045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0>
Band 6 range: 0.2527689948075879 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0>
Band 7 range: 0.3373371031125568 at Vector3<0.0, 0.0, 0.0> to 0.44249766491694126 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
Band 8 range: 0.44826277655382385 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.468390327176045 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0>
Band 9 range: 0.45149540295292095 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4713194836227727 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0>
Band 10 range: 0.45640253677801745 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4964850886925342 at Vector3<0.0, 0.0, 0.0>
Band 11 range: 0.4629066580431404 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324135 at Vector3<0.0, 0.0, 0.0>
Band 12 range: 0.46569046397212355 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661457 at Vector3<0.0, 0.0, 0.0>
Gap from band 6 (0.27082126366760045) to band 7 (0.3373371031125568), 21.874512652721958%
Gap from band 7 (0.44249766491694126) to band 8 (0.44826277655382385), 1.294424711399087%
total elapsed time for run: 47.64628624916077
done
/tmp/meepNmMUdV/test_line_defect-0: 47.67s
/tmp/meepNmMUdV/test_list_split-0
========================
/tmp/meepNmMUdV/test_list_split-0: 0.00s
/tmp/meepNmMUdV/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: 0.007133960723876953
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.9566330909729004
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.0463366508483887
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.19775676727294922
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.18766355514526367
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.21691489219665527
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.859694242477417
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.26694273948669434
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.4225959777832031
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.2175281047821045
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.41489124298095703
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.31773972511291504
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.1396946907043457
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.2867138385772705
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.408921480178833
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.45427680015563965
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.6493778228759766
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 7.053098201751709
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: 0.004091739654541016
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.31940460205078125
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.9229156970977783
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.9152460098266602
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.5959653854370117
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.49473142623901367
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.35091495513916016
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.2525300979614258
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.31954169273376465
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.35482144355773926
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.22534537315368652
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.3311741352081299
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.19366931915283203
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.19695258140563965
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.4463779926300049
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.4230492115020752
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
.elapsed time for k point: 0.9186604022979736
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 8.267613172531128
done
/tmp/meepNmMUdV/test_load_and_save_eigenvectors-0: 15.33s
/tmp/meepNmMUdV/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: 0.003151416778564453
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2
Solving for bands 2 to 2...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 0.4898474331528381 (198.799% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.2634327276606201 (60.1143% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.225635440105843 (15.4569% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.2118795772470997 (6.28818% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.2093240519911659 (1.21344% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2091127254372628 (0.101008% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2090852588528239 (0.0131357% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2090837640052219 (0.000714949% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.20908357456065 (9.06071e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.2090835294053879 (2.15968e-05% change)
linmin: converged after 6 iterations.
iteration 11: trace = 0.2090835264202497 (1.42773e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.2090835262060448 (1.02449e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.2090835261751922 (1.47561e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.2090835261708316 (2.08556e-09% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.2090835261706046 (1.08588e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.2090835261705099 (4.52806e-11% change)
Finished solving for bands 2 to 2 after 16 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257
elapsed time for k point: 0.016598224639892578
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 10 iterations.
iteration 1: trace = 0.2098651202886063 (4.6103% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2077435553715469 (1.01605% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.2065876445984869 (0.557965% change)
large trace change predicted (1.26308%)
linmin: converged after 5 iterations.
iteration 4: trace = 0.2036945327837789 (1.4103% change)
linmin: converged after 7 iterations.
iteration 5: trace = 0.2020820274046524 (0.794775% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.2017151357863381 (0.181721% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2016398542630085 (0.0373277% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.2015598361330475 (0.0396916% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.2014449638068837 (0.0570079% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.2014122707810976 (0.0162306% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.2014087537596138 (0.0017462% change)
linmin: converged after 14 iterations.
iteration 12: trace = 0.2014078549180834 (0.000446278% change)
linmin: converged after 6 iterations.
iteration 13: trace = 0.2014061973776621 (0.00082298% change)
linmin: converged after 6 iterations.
iteration 14: trace = 0.2014048838685192 (0.000652171% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.2014047218137718 (8.04622e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.2014047010267281 (1.0321e-05% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.2014046853811636 (7.76822e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 0.2014046607647911 (1.22223e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 0.2014046519840341 (4.35976e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 0.2014046509571271 (5.09873e-07% change)
linmin: converged after 5 iterations.
iteration 21: trace = 0.201404650782628 (8.66411e-08% change)
linmin: converged after 6 iterations.
iteration 22: trace = 0.2014046504701466 (1.55151e-07% change)
linmin: converged after 24 iterations.
iteration 23: trace = 0.2014046502170883 (1.25647e-07% change)
linmin: converged after 12 iterations.
iteration 24: trace = 0.201404650174863 (2.09654e-08% change)
linmin: converged after 15 iterations.
iteration 25: trace = 0.2014046501695736 (2.62627e-09% change)
linmin: converged after 4 iterations.
iteration 26: trace = 0.2014046501670944 (1.23096e-09% change)
large trace change predicted (2.5428e-09%)
linmin: converged after 3 iterations.
iteration 27: trace = 0.201404650161976 (2.54133e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.2014046501601651 (8.99114e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.2014046501599528 (1.05425e-10% change)
linmin: converged after 5 iterations.
iteration 30: trace = 0.2014046501599139 (1.93347e-11% change)
Finished solving for bands 1 to 2 after 30 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338
elapsed time for k point: 0.07068967819213867
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1886993853602696 (5.81613% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.187932965403088 (0.406986% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1879019987162403 (0.0164789% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1879007700599349 (0.000653884% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1879007324411789 (2.00205e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1879007301109863 (1.24012e-06% change)
linmin: converged after 13 iterations.
iteration 7: trace = 0.1879007300208399 (4.79755e-08% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.1879007300173994 (1.831e-09% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.1879007300173177 (4.35018e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196
elapsed time for k point: 0.011996269226074219
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.1770906204473955 (5.09773% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.176867633415328 (0.125996% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.176857607226484 (0.00566891% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1768571937062108 (0.000233816% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1768571846110664 (5.14265e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1768571842635598 (1.9649e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1768571842571172 (3.64287e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1768571842568873 (1.29944e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.1768571842568802 (4.04899e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009
elapsed time for k point: 0.012118101119995117
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.1703028333697398 (5.07332% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1701701834280544 (0.077921% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.1701632888796341 (0.00405164% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1701630475985812 (0.000141794% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1701630438206584 (2.22018e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.170163043679694 (8.28408e-08% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.1701630436771916 (1.47057e-09% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.170163043677122 (4.09247e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342
elapsed time for k point: 0.09202241897583008
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1680722256068122 (5.13139% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1679599575333089 (0.0668198% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.1679544178043843 (0.0032983% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.167954204675805 (0.000126897% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.167954201880074 (1.66458e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1679542017770078 (6.13657e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.167954201774932 (1.23591e-09% change)
linmin: converged after 6 iterations.
iteration 8: trace = 0.1679542017748686 (3.77942e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201
elapsed time for k point: 0.009686470031738281
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 3 iterations.
iteration 1: trace = 0.1727907851940614 (0.90973% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1727441194082772 (0.0270108% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.1727422906716331 (0.00105864% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.1727422490693743 (2.40834e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1727422479861118 (6.27098e-07% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1727422479682354 (1.03486e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1727422479677769 (2.65437e-10% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1727422479677606 (9.46383e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057
elapsed time for k point: 0.009586811065673828
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.1860989381524435 (1.56232% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1859976762889476 (0.0544277% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.1859938669738664 (0.00204807% change)
linmin: converged after 19 iterations.
iteration 4: trace = 0.1859937714047323 (5.1383e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1859937688937456 (1.35004e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1859937688390203 (2.94232e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1859937688378917 (6.06823e-10% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.1859937688378513 (2.16829e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912
elapsed time for k point: 0.009690523147583008
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2043988572787785 (2.75517% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2041523986067429 (0.12065% change)
linmin: converged after 2 iterations.
iteration 3: trace = 0.2041422878985797 (0.00495265% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2041420493962594 (0.000116831% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2041420414998278 (3.86811e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2041420413330258 (8.17088e-08% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.2041420413291271 (1.9098e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2041420413289724 (7.57581e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618
elapsed time for k point: 0.021121501922607422
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.2213300955570094 (4.3094% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2207839638738395 (0.247055% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2207589339831464 (0.0113375% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2207583808306991 (0.000250569% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2207583584069986 (1.01576e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.220758357912076 (2.24192e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.2207583578975027 (6.60147e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2207583578967374 (3.46671e-10% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.2207583578967242 (6.00981e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104
elapsed time for k point: 0.010849237442016602
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.2286358930851744 (5.87517% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2277546866636124 (0.386163% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2277132378226158 (0.0182006% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2277123246168995 (0.000401034% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2277122854063265 (1.72193e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.227712284417164 (4.34391e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.227712284386013 (1.368e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.2277122843842669 (7.66802e-10% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.2277122843842428 (1.05799e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058
elapsed time for k point: 0.011393070220947266
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2240217978987306 (8.03377% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2227325966086012 (0.577141% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.2221794028707298 (0.248676% change)
large trace change predicted (1.12179%)
linmin: converged after 5 iterations.
iteration 4: trace = 0.2201021533223286 (0.939334% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.2194887472932665 (0.27908% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.219464625857311 (0.0109904% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2194635570027367 (0.000487029% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.21946331464528 (0.000110432% change)
large trace change predicted (0.00027517%)
linmin: converged after 5 iterations.
iteration 9: trace = 0.2194627106479068 (0.000275216% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.2194625034252833 (9.44227e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.2194624959688222 (3.3976e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.2194624957143564 (1.1595e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.2194624956685686 (2.08636e-08% change)
large trace change predicted (5.35737e-08%)
linmin: converged after 2 iterations.
iteration 14: trace = 0.2194624955509947 (5.35736e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.2194624955026467 (2.20302e-08% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.21946249550052 (9.69019e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.2194624955004418 (3.56774e-11% change)
Finished solving for bands 1 to 2 after 17 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656
elapsed time for k point: 0.019394874572753906
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2048270491097952 (7.89384% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2042255888086185 (0.294075% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2042030572713608 (0.0110333% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2042021613101474 (0.000438761% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2042021401646439 (1.03552e-05% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2042021396348914 (2.59426e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.2042021396248772 (4.90408e-09% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2042021396245605 (1.55114e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.2042021396245495 (5.38251e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028
elapsed time for k point: 0.010730743408203125
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1961694955193464 (6.14128% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1959410036458177 (0.116545% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1959317156392235 (0.00474032% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1959313940592608 (0.000164129% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1959313856969012 (4.268e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1959313854375356 (1.32376e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1959313854311262 (3.27123e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1959313854307267 (2.03891e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.1959313854307186 (4.13646e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611
elapsed time for k point: 0.010653257369995117
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 8 iterations.
iteration 1: trace = 0.2014853855724113 (5.75945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.200826490458241 (0.327554% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.2007788953842622 (0.0237024% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2007749944565632 (0.00194292% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.2007748543968736 (6.97596e-05% change)
linmin: converged after 15 iterations.
iteration 6: trace = 0.2007748486133251 (2.88061e-06% change)
linmin: converged after 18 iterations.
iteration 7: trace = 0.2007748484344857 (8.90746e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.2007748484304177 (2.02616e-09% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.2007748484302034 (1.06765e-10% change)
linmin: converged after 6 iterations.
iteration 10: trace = 0.2007748484301815 (1.08658e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244
elapsed time for k point: 0.011906862258911133
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.2122718724222553 (4.82659% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2094216112500307 (1.35182% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2091030511365137 (0.15223% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2090846371542952 (0.00880656% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2090836304333474 (0.000481491% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.2090835247433783 (5.05491e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.209083513086021 (5.57545e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.2090835123374098 (3.58044e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.2090835122673798 (3.34938e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.2090835122583802 (4.30429e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.2090835122572214 (5.54226e-10% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.2090835122571492 (3.45412e-11% change)
Finished solving for bands 2 to 2 after 12 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257
elapsed time for k point: 0.007011890411376953
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992221993 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.3512008353051182 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897041 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.24902949992221993) to band 2 (0.3512008353051182), 34.0440425571629%
total elapsed time for run: 0.3396461009979248
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: 0.0038030147552490234
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2
Solving for bands 2 to 2...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 0.4343181010737096 (198.885% change)
linmin: converged after 10 iterations.
iteration 2: trace = 0.1466798479702051 (99.0152% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1367387884268152 (7.01511% change)
linmin: converged after 8 iterations.
iteration 4: trace = 0.1336076174223923 (2.31641% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.1327039030186226 (0.67869% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1326703124266258 (0.0253156% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.1326539772349639 (0.0123134% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.1326531685219587 (0.000609643% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.1326529640372008 (0.00015415% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.132652933776196 (2.28122e-05% change)
linmin: converged after 9 iterations.
iteration 11: trace = 0.1326529311517175 (1.97845e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.1326529297895745 (1.02685e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.1326529296923156 (7.33183e-08% change)
linmin: converged after 10 iterations.
iteration 14: trace = 0.1326529296662337 (1.96618e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.1326529296624064 (2.8852e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.1326529296621593 (1.86261e-10% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.1326529296620272 (9.96166e-11% change)
Finished solving for bands 2 to 2 after 17 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215
elapsed time for k point: 0.009973764419555664
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 9 iterations.
iteration 1: trace = 0.1330276952345748 (5.99259% change)
linmin: converged after 8 iterations.
iteration 2: trace = 0.1318813366874341 (0.865473% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1308680470923077 (0.771297% change)
large trace change predicted (1.92882%)
linmin: converged after 5 iterations.
iteration 4: trace = 0.1283043076221041 (1.97841% change)
linmin: converged after 7 iterations.
iteration 5: trace = 0.1276263881412687 (0.529768% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1275322441814143 (0.0737925% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.1275021779741062 (0.0235782% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.1274414865964471 (0.0476116% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.1274120300391561 (0.0231165% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.127409384942529 (0.00207604% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.127409008275602 (0.000295636% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.1274085198437589 (0.000383358% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.1274080628431376 (0.00035869% change)
linmin: converged after 5 iterations.
iteration 14: trace = 0.1274079792683518 (6.55962e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.1274079726496691 (5.19487e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.1274079698066937 (2.2314e-06% change)
linmin: converged after 12 iterations.
iteration 17: trace = 0.1274079642225557 (4.38288e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 0.1274079624507169 (1.39068e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.127407962318043 (1.04133e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 0.1274079622925221 (2.00308e-08% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.1274079622440875 (3.80154e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.1274079622155688 (2.23838e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.1274079622132367 (1.83038e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 0.1274079622129682 (2.10812e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.1274079622125828 (3.0246e-10% change)
linmin: converged after 21 iterations.
iteration 26: trace = 0.1274079622122124 (2.9074e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.1274079622121579 (4.272e-11% change)
Finished solving for bands 1 to 2 after 27 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242
elapsed time for k point: 0.03151369094848633
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1175895698992929 (8.46358% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1169854373382666 (0.515087% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1169634629343674 (0.0187856% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1169624287919833 (0.000884162% change)
linmin: converged after 17 iterations.
iteration 5: trace = 0.1169623892439101 (3.38126e-05% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.1169623870108744 (1.90919e-06% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.1169623869324879 (6.70185e-08% change)
linmin: converged after 7 iterations.
iteration 8: trace = 0.1169623869302094 (1.94808e-09% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.1169623869301468 (5.35594e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853
elapsed time for k point: 0.014231681823730469
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1076617181330979 (7.39497% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1074867217773469 (0.162675% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.1074797532363016 (0.00648337% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1074794560989981 (0.000276459% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.107479449202565 (6.41651e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1074794489996316 (1.88811e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.10747944899274 (6.41203e-09% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.1074794489925577 (1.69613e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.1074794489925547 (2.82774e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301
elapsed time for k point: 0.02243351936340332
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.101413708350161 (7.0899% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.1013434149944227 (0.0693375% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.1013402349806177 (0.00313791% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1013401302210901 (0.000103374% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1013401281880725 (2.00613e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.101340128149123 (3.84344e-08% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.1013401281478893 (1.21745e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1013401281478576 (3.11955e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456
elapsed time for k point: 0.017665624618530273
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.09929517146312489 (6.9708% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.0992475255606603 (0.0479956% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.09924547743477763 (0.00206368% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.09924540340840848 (7.45892e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.0992454023723215 (1.04396e-06% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.09924540235031681 (2.2172e-08% change)
linmin: converged after 10 iterations.
iteration 7: trace = 0.09924540234966142 (6.60376e-10% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.09924540234965111 (1.03896e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996
elapsed time for k point: 0.021702289581298828
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.102374875635537 (0.938618% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.10234483009841 (0.0293529% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1023441319883403 (0.000682118% change)
linmin: converged after 21 iterations.
iteration 4: trace = 0.102344111854088 (1.96731e-05% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.1023441112170789 (6.22419e-07% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.102344111210816 (6.11943e-09% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1023441112106435 (1.68631e-10% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1023441112106413 (2.08823e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821
elapsed time for k point: 0.017813444137573242
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.1111648725369512 (1.70677% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1111022041294544 (0.0563902% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1111005428817411 (0.00149525% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.1111004887965007 (4.86814e-05% change)
linmin: converged after 12 iterations.
iteration 5: trace = 0.1111004875283869 (1.14141e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1111004875048887 (2.11504e-08% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1111004875044872 (3.61458e-10% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.111100487504477 (9.10609e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239
elapsed time for k point: 0.018041133880615234
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.1238434803056937 (3.06251% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1236602488077914 (0.148064% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1236554311291922 (0.00389598% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.1236552618867514 (0.000136866% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.1236552585512288 (2.69744e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1236552584722957 (6.38332e-08% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1236552584710226 (1.02949e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1236552584709827 (3.22997e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223
elapsed time for k point: 0.01886296272277832
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.1365861283694587 (4.90629% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1360353991956018 (0.404025% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1360216616314291 (0.010099% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.1360211293759798 (0.000391303% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.136021117748354 (8.5484e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1360211172989073 (3.30424e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.136021117275474 (1.72277e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1360211172747934 (5.0038e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.1360211172747792 (1.04475e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912
elapsed time for k point: 0.020048141479492188
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.1427907515851958 (7.20068% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1416129588617778 (0.828254% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1415842924679495 (0.0202448% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.141582779194314 (0.00106882% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1415827277312478 (3.63484e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1415827249602425 (1.95716e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1415827248205369 (9.86742e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1415827248187983 (1.22796e-09% change)
linmin: converged after 7 iterations.
iteration 9: trace = 0.1415827248187514 (3.31304e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246
elapsed time for k point: 0.023064136505126953
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.1391285125980508 (10.1029% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1378170044816253 (0.947124% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1377216292272727 (0.0692282% change)
large trace change predicted (0.351976%)
linmin: converged after 6 iterations.
iteration 4: trace = 0.1372856158281961 (0.317092% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.1366576168038857 (0.458488% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1366119030153259 (0.0334569% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.1366103217876671 (0.00115747% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.1366097453256682 (0.000421976% change)
large trace change predicted (0.0013334%)
linmin: converged after 8 iterations.
iteration 9: trace = 0.1366079217893785 (0.00133486% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.1366070298222035 (0.000652942% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.1366069869567214 (3.13787e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.1366069853872576 (1.14889e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.1366069843523761 (7.57561e-07% change)
large trace change predicted (2.51115e-06%)
linmin: converged after 16 iterations.
iteration 14: trace = 0.1366069809219603 (2.51116e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.1366069801728949 (5.48336e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.1366069801486546 (1.77445e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 0.1366069801469425 (1.25329e-09% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.13660698014441 (1.85386e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.1366069801394008 (3.66686e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.1366069801387246 (4.94983e-10% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.1366069801386999 (1.81235e-11% change)
Finished solving for bands 1 to 2 after 21 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507
elapsed time for k point: 0.04490971565246582
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1288477330211958 (10.0415% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.1283196778719536 (0.41067% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1283049547472061 (0.0114744% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1283044898205977 (0.000362361% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.1283044779202521 (9.27508e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.1283044775632082 (2.78279e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1283044775566787 (5.08902e-09% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.1283044775564041 (2.14033e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.1283044775563506 (4.1686e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617
elapsed time for k point: 0.010895252227783203
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1253721759989881 (8.44741% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1250731667431211 (0.238782% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1250655728028865 (0.00607178% change)
linmin: converged after 2 iterations.
iteration 4: trace = 0.1250652918569695 (0.000224639% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.125065286813738 (4.03248e-06% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.1250652866511766 (1.29981e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1250652866473551 (3.05563e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.1250652866471705 (1.4756e-10% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.125065286647159 (9.21004e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539
elapsed time for k point: 0.023378610610961914
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 7 iterations.
iteration 1: trace = 0.1294353344754086 (8.78986% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.1287958675499594 (0.495267% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.128744497849947 (0.0398925% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.1287432352198241 (0.00098073% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.1287431529997967 (6.38636e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1287431505713931 (1.88624e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1287431504657534 (8.20547e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1287431504623984 (2.60597e-09% change)
linmin: converged after 9 iterations.
iteration 9: trace = 0.1287431504622698 (9.99038e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456
elapsed time for k point: 0.011309623718261719
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.1366524581134822 (4.3465% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.133095702821382 (2.63709% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.1326683867029242 (0.321576% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.1326585108523272 (0.00744429% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.1326532168393765 (0.00399079% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.1326529644658704 (0.000190251% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.1326529514655155 (9.80028e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.1326529455152224 (4.48561e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.1326529452762264 (1.80166e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 0.132652945264607 (8.75921e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.1326529452610045 (2.71578e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.1326529452608697 (1.01583e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 0.1326529452608121 (4.34162e-11% change)
Finished solving for bands 2 to 2 after 13 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216
elapsed time for k point: 0.008889436721801758
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.21862256910517538 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.25999614437474894 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458691 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.21862256910517538) to band 2 (0.25999614437474894), 17.288741164655264%
total elapsed time for run: 0.3199751377105713
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: 0.0029201507568359375
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2
Solving for bands 2 to 2...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 0.654925390620016 (198.431% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.309127554574498 (71.7383% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3021663145641901 (2.27754% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3010091523576722 (0.38369% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.2989636350397315 (0.68187% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.2983048314779296 (0.220606% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.298258806017678 (0.0154302% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2982560426838611 (0.000926493% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.2982542423263999 (0.00060363% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.2982522951543166 (0.000652859% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.2982519775108617 (0.000106502% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.2982519598579504 (5.91879e-06% change)
linmin: converged after 25 iterations.
iteration 13: trace = 0.2982519583456513 (5.07054e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 0.2982519560571793 (7.67295e-07% change)
linmin: converged after 18 iterations.
iteration 15: trace = 0.2982519551981031 (2.88037e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.2982519551550084 (1.44491e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.2982519551524453 (8.5938e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.2982519551507783 (5.58923e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.2982519551491578 (5.43345e-10% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.2982519551490028 (5.19652e-11% change)
Finished solving for bands 2 to 2 after 20 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124
elapsed time for k point: 0.013455629348754883
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.296625031537239 (4.81134% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.2810412199539083 (5.39544% change)
linmin: converged after 12 iterations.
iteration 3: trace = 0.279707555950153 (0.475673% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2796368858724529 (0.0252689% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2796049788775924 (0.0114108% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.2795924192272173 (0.00449203% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2795912768509398 (0.000408587% change)
linmin: converged after 6 iterations.
iteration 8: trace = 0.2795911968916507 (2.85986e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2795911512747838 (1.63156e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.279591139219289 (4.31183e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.2795911380567464 (4.15801e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 0.2795911379221784 (4.81303e-08% change)
linmin: converged after 13 iterations.
iteration 13: trace = 0.2795911378697271 (1.876e-08% change)
linmin: converged after 5 iterations.
iteration 14: trace = 0.2795911378501715 (6.99437e-09% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.2795911378480384 (7.62925e-10% change)
linmin: converged after 7 iterations.
iteration 16: trace = 0.2795911378478675 (6.11119e-11% change)
Finished solving for bands 1 to 2 after 16 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701
elapsed time for k point: 0.019069910049438477
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2622850419913114 (3.26212% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2613364588441836 (0.362316% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2611888623243494 (0.0564935% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2611845433419112 (0.0016536% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2611842511623717 (0.000111867% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.2611842413682738 (3.74988e-06% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.2611842409879023 (1.45633e-07% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2611842409520099 (1.37422e-08% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.2611842409471598 (1.85697e-09% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.2611842409470009 (6.08279e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734
elapsed time for k point: 0.012047529220581055
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.2495890152828734 (3.71776% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2491349626349513 (0.182086% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2491001185963266 (0.013987% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2490994092373554 (0.000284769% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2490993783901632 (1.23835e-05% change)
linmin: converged after 33 iterations.
iteration 6: trace = 0.2490993774714976 (3.68795e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2490993774413393 (1.21069e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.2490993774400478 (5.18466e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2490993774400128 (1.40394e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719
elapsed time for k point: 0.025627613067626953
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2427649179615218 (4.12003% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2424595800284271 (0.125854% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.2424461076700272 (0.00555669% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2424457235513502 (0.000158435% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.242445714710256 (3.64663e-06% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2424457144963569 (8.82256e-08% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.2424457144901445 (2.56238e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.242445714489984 (6.61933e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373
elapsed time for k point: 0.010522842407226562
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 8 iterations.
iteration 1: trace = 0.2406037838644208 (4.34726% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2403528913600188 (0.104331% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.240344605830093 (0.00344729% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2403442785818102 (0.000136158% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.240344272608517 (2.48531e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.2403442724382655 (7.08365e-08% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2403442724330159 (2.18423e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2403442724329473 (2.85473e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115
elapsed time for k point: 0.009767532348632812
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2478650541659824 (0.665976% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2478153067195067 (0.0200724% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.247813601181322 (0.000688232% change)
linmin: converged after 11 iterations.
iteration 4: trace = 0.2478135705407399 (1.23644e-05% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2478135698495613 (2.78911e-07% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2478135698281643 (8.63432e-09% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.2478135698278281 (1.35679e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2478135698278215 (2.66564e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085
elapsed time for k point: 0.019945383071899414
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2689523558126411 (1.15158% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2687965094237142 (0.0579625% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.2687923010456906 (0.00156565% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2687921865479117 (4.25971e-05% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.2687921840676185 (9.22755e-07% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2687921840087608 (2.18971e-08% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2687921840070879 (6.2235e-10% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.2687921840070472 (1.5138e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323
elapsed time for k point: 0.014445066452026367
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2988641621313863 (2.11503% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2984227993488108 (0.147789% change)
linmin: converged after 16 iterations.
iteration 3: trace = 0.2984110530872368 (0.00393619% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.2984106728909152 (0.000127407% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2984106621553145 (3.59759e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.2984106619110481 (8.18558e-08% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2984106619038377 (2.41627e-09% change)
linmin: converged after 7 iterations.
iteration 8: trace = 0.2984106619036122 (7.5581e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454
elapsed time for k point: 0.01174306869506836
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 8 iterations.
iteration 1: trace = 0.3278879623914542 (3.57107% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3268031317976842 (0.331402% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3267703883056816 (0.0100198% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.3267691490121233 (0.000379256% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3267691042855296 (1.36875e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.3267691033363583 (2.90472e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.3267691033112136 (7.69497e-09% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.3267691033102652 (2.90221e-10% change)
linmin: converged after 16 iterations.
iteration 9: trace = 0.3267691033102512 (4.28095e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688
elapsed time for k point: 0.015270471572875977
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.341094997463101 (5.35228% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3391984614179793 (0.557564% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3391366043905774 (0.0182379% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.339134207757369 (0.000706689% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3391341108700712 (2.8569e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.3391341089176962 (5.75694e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.3391341088659967 (1.52446e-08% change)
linmin: converged after 6 iterations.
iteration 8: trace = 0.3391341088634663 (7.46141e-10% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.3391341088633693 (2.86121e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621
elapsed time for k point: 0.021020174026489258
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3320175035444035 (7.19666% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3288522176426137 (0.957915% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.326379624479109 (0.754723% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.3219901164799803 (1.35401% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.321548530039317 (0.137237% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.3215259880095878 (0.00701071% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.3215240569133013 (0.000600605% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.3215211961989131 (0.00088974% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.3215198890578121 (0.00040655% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.3215197879153998 (3.14576e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.3215197847617492 (9.80857e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.3215197841679531 (1.84684e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 0.3215197830625632 (3.43802e-07% change)
linmin: converged after 21 iterations.
iteration 14: trace = 0.321519782785552 (8.61568e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.3215197827696916 (4.93295e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.3215197827690929 (1.86223e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 0.3215197827688707 (6.91127e-11% change)
Finished solving for bands 1 to 2 after 17 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436
elapsed time for k point: 0.030604124069213867
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.2914724979423963 (6.31106% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2901669297397658 (0.448927% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2901228936895049 (0.0151773% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2901214428380552 (0.000500083% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2901214024217772 (1.39308e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2901214014190731 (3.45615e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2901214013741393 (1.54879e-08% change)
linmin: converged after 7 iterations.
iteration 8: trace = 0.2901214013724242 (5.91176e-10% change)
linmin: converged after 9 iterations.
iteration 9: trace = 0.2901214013723645 (2.05688e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197
elapsed time for k point: 0.021146059036254883
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2714938962778212 (4.17227% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2709002793369415 (0.218888% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2708628403276491 (0.0138212% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.27086079023786 (0.000756877% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2708607279884341 (2.29821e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.270860725965226 (7.46955e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.2708607258906749 (2.75238e-08% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2708607258855506 (1.89185e-09% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.2708607258851873 (1.34115e-10% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.270860725885171 (6.02534e-12% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863
elapsed time for k point: 0.015651464462280273
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 9 iterations.
iteration 1: trace = 0.275727883707746 (3.37811% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2752294374121149 (0.180938% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2751077523722729 (0.044222% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.275094762042982 (0.00472202% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.2750943791629709 (0.000139181% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.275094368246518 (3.96826e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.2750943677818913 (1.68897e-07% change)
linmin: converged after 31 iterations.
iteration 8: trace = 0.2750943677030428 (2.86623e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2750943676888271 (5.16759e-09% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.2750943676881245 (2.55385e-10% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.2750943676881151 (3.41024e-12% change)
Finished solving for bands 1 to 2 after 11 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638
elapsed time for k point: 0.016209840774536133
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 8 iterations.
iteration 1: trace = 0.3063507184999051 (2.00508% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3031319400187919 (1.05623% change)
linmin: converged after 7 iterations.
iteration 3: trace = 0.2988994850148023 (1.40606% change)
linmin: converged after 7 iterations.
iteration 4: trace = 0.2982983429994934 (0.201321% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.2982585418700292 (0.0133436% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.298256612754651 (0.000646795% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2982536607023324 (0.000989774% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.2982520309343616 (0.000546438% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.2982519600533168 (2.37655e-05% change)
linmin: converged after 7 iterations.
iteration 10: trace = 0.2982519569354681 (1.04537e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.2982519563685623 (1.90076e-07% change)
linmin: converged after 9 iterations.
iteration 12: trace = 0.2982519553645563 (3.3663e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.2982519551600122 (6.8581e-08% change)
linmin: converged after 24 iterations.
iteration 14: trace = 0.2982519551499704 (3.36689e-09% change)
linmin: converged after 9 iterations.
iteration 15: trace = 0.2982519551494986 (1.58166e-10% change)
linmin: converged after 2 iterations.
iteration 16: trace = 0.2982519551492238 (9.21674e-11% change)
Finished solving for bands 2 to 2 after 16 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124
elapsed time for k point: 0.011290788650512695
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856934 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.42411505161943935 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610301 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.28540381057856934) to band 2 (0.42411505161943935), 39.10008554562127%
total elapsed time for run: 0.27199649810791016
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: 0.002717733383178711
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2
Solving for bands 2 to 2...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 0.8865138653874602 (197.906% change)
linmin: converged after 8 iterations.
iteration 2: trace = 0.3200046970003622 (93.9081% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.3068086580978384 (4.21052% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.3030326413122446 (1.23836% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.302614189348645 (0.138183% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.3025973435560045 (0.00556691% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.3025960087856284 (0.000441105% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.3025957149074369 (9.7119e-05% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.3025956971360175 (5.87299e-06% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.3025956960690346 (3.5261e-07% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.3025956959599989 (3.60335e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.3025956959421136 (5.91063e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.3025956959407095 (4.64018e-10% change)
linmin: converged after 3 iterations.
iteration 14: trace = 0.3025956959406486 (2.01428e-11% change)
Finished solving for bands 2 to 2 after 14 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087
elapsed time for k point: 0.009383916854858398
solve_kpoint (0.1,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3046948505447924 (3.77829% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.301216949397526 (1.14799% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.300937460060279 (0.0928298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3009299252030406 (0.00250383% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.3009297396741475 (6.16519e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.3009297211602808 (6.15222e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.3009297179658469 (1.06152e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.3009297177077821 (8.57558e-08% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.3009297177020472 (1.90573e-09% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.3009297177018313 (7.17386e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799
elapsed time for k point: 0.02331852912902832
solve_kpoint (0.2,0,0):
Solving for bands 1 to 2...
linmin: converged after 8 iterations.
iteration 1: trace = 0.2993772621931771 (4.06065% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2971754981857861 (0.738162% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2969647758505741 (0.0709335% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2969599541881717 (0.00162366% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2969598407822417 (3.8189e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.2969598364647945 (1.45388e-06% change)
linmin: converged after 22 iterations.
iteration 7: trace = 0.2969598362065993 (8.69462e-08% change)
linmin: converged after 15 iterations.
iteration 8: trace = 0.2969598361844072 (7.47309e-09% change)
linmin: converged after 9 iterations.
iteration 9: trace = 0.2969598361819391 (8.31116e-10% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.2969598361818406 (3.31617e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188
elapsed time for k point: 0.017458677291870117
solve_kpoint (0.3,0,0):
Solving for bands 1 to 2...
linmin: converged after 10 iterations.
iteration 1: trace = 0.2938435215784326 (4.30612% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.2927441839091663 (0.374825% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.292646710573389 (0.033302% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.2926449733559786 (0.000593624% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.292644919356301 (1.84523e-05% change)
linmin: converged after 11 iterations.
iteration 6: trace = 0.2926449176893364 (5.6962e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.292644917585685 (3.54188e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.292644917581024 (1.59273e-09% change)
linmin: converged after 2 iterations.
iteration 9: trace = 0.292644917580711 (1.06927e-10% change)
linmin: converged after 7 iterations.
iteration 10: trace = 0.2926449175807005 (3.60407e-12% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698
elapsed time for k point: 0.026660442352294922
solve_kpoint (0.4,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.2901150873109317 (4.44251% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.2895449449297266 (0.196716% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.2895150953299021 (0.0103097% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2895144114344814 (0.000236221% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2895143963165008 (5.22184e-06% change)
linmin: converged after 3 iterations.
iteration 6: trace = 0.2895143959258292 (1.3494e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.2895143959126513 (4.55171e-09% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.2895143959121471 (1.74156e-10% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.2895143959121311 (5.52208e-12% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279
elapsed time for k point: 0.015651226043701172
solve_kpoint (0.5,0,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.288803400262168 (4.49556% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.288397186365051 (0.140753% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.2883890967942881 (0.00280505% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.2883886834700362 (0.000143322% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2883886769569958 (2.25842e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.2883886767783876 (6.19331e-08% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2883886767738496 (1.57356e-09% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2883886767737717 (2.7006e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512
elapsed time for k point: 0.017204999923706055
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.2982501673194342 (0.506108% change)
linmin: converged after 3 iterations.
iteration 2: trace = 0.2982104738003745 (0.0133097% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.2982086460163033 (0.000612919% change)
linmin: converged after 17 iterations.
iteration 4: trace = 0.2982086207857146 (8.46072e-06% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.2982086197260263 (3.55351e-07% change)
linmin: converged after 15 iterations.
iteration 6: trace = 0.2982086196950975 (1.03715e-08% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.2982086196943686 (2.44413e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.2982086196943479 (6.96196e-12% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808
elapsed time for k point: 0.010922908782958984
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3266367774016535 (0.830279% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3265044430836114 (0.0405224% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3264980604168625 (0.00195487% change)
linmin: converged after 11 iterations.
iteration 4: trace = 0.326497926658615 (4.09676e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3264979229973251 (1.12138e-06% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.3264979228246055 (5.29006e-08% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.3264979228224313 (6.65934e-10% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.3264979228223411 (2.76112e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208
elapsed time for k point: 0.012558937072753906
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.3695365223764001 (1.48558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.3690894962296902 (0.121043% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3690670482003575 (0.00608219% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.3690664377461913 (0.000165405% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3690664179900566 (5.353e-06% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.3690664173327332 (1.78104e-07% change)
linmin: converged after 3 iterations.
iteration 7: trace = 0.369066417318338 (3.90042e-09% change)
linmin: converged after 2 iterations.
iteration 8: trace = 0.369066417318031 (8.31916e-11% change)
Finished solving for bands 1 to 2 after 8 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732
elapsed time for k point: 0.014170169830322266
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 4 iterations.
iteration 1: trace = 0.4173499292601687 (2.62841% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.4156434788169411 (0.409715% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.4155485977073967 (0.0228301% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.4155449430743093 (0.000879476% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.4155448032643571 (3.3645e-05% change)
linmin: converged after 19 iterations.
iteration 6: trace = 0.4155448000759103 (7.67293e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.4155447999425276 (3.20983e-08% change)
linmin: converged after 23 iterations.
iteration 8: trace = 0.4155447999216209 (5.03117e-09% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.4155447999210301 (1.42163e-10% change)
linmin: converged after 2 iterations.
iteration 10: trace = 0.4155447999210056 (5.90452e-12% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571
elapsed time for k point: 0.023720979690551758
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.4460423269349527 (5.07015% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.440137635700096 (1.33262% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.4398345567490917 (0.0688838% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.4398187039759412 (0.00360432% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.4398182310628922 (0.000107525% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.4398182203781184 (2.42936e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.4398182200041542 (8.5027e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 0.4398182199097641 (2.14612e-08% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.4398182199058926 (8.80241e-10% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.4398182199057517 (3.20583e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278
elapsed time for k point: 0.026959896087646484
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.4254304940032047 (7.90763% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.4154061158862822 (2.38438% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.4086474339504996 (1.64035% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.4030720876485605 (1.37371% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.4025050595480361 (0.140776% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.4024773504470229 (0.0068844% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.4024758244070208 (0.000379162% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.4024756354882406 (4.69392e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.4024755044224085 (3.25649e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.4024754425634776 (1.53696e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 0.4024754386798516 (9.64935e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.4024754384625254 (5.39974e-08% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.4024754384481786 (3.56464e-09% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.4024754384464008 (4.41716e-10% change)
linmin: converged after 2 iterations.
iteration 15: trace = 0.4024754384452963 (2.74414e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.4024754384447279 (1.41221e-10% change)
linmin: converged after 16 iterations.
iteration 17: trace = 0.402475438444692 (8.9237e-12% change)
Finished solving for bands 1 to 2 after 17 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161
elapsed time for k point: 0.02500629425048828
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3494947013271065 (5.04145% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3477682141916962 (0.495218% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3476951474265372 (0.0210124% change)
linmin: converged after 3 iterations.
iteration 4: trace = 0.3476919810771725 (0.000910672% change)
linmin: converged after 2 iterations.
iteration 5: trace = 0.3476919224042098 (1.6875e-05% change)
linmin: converged after 22 iterations.
iteration 6: trace = 0.3476919188690364 (1.01675e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.3476919187143111 (4.45007e-08% change)
linmin: converged after 16 iterations.
iteration 8: trace = 0.3476919187046048 (2.79164e-09% change)
linmin: converged after 3 iterations.
iteration 9: trace = 0.3476919187043944 (6.05256e-11% change)
Finished solving for bands 1 to 2 after 9 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254
elapsed time for k point: 0.01984119415283203
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.3136744626787956 (3.55049% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3125395680681898 (0.362462% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3124731771050024 (0.0212447% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3124702465943587 (0.000937848% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.3124701893749382 (1.8312e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 0.3124701860944266 (1.04986e-06% change)
linmin: converged after 7 iterations.
iteration 7: trace = 0.3124701859365782 (5.05163e-08% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.3124701859237753 (4.09729e-09% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.3124701859233396 (1.3944e-10% change)
linmin: converged after 6 iterations.
iteration 10: trace = 0.312470185923318 (6.91069e-12% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918
elapsed time for k point: 0.02231907844543457
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 2...
linmin: converged after 6 iterations.
iteration 1: trace = 0.3038101253174376 (3.91494% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3016593346553453 (0.710454% change)
linmin: converged after 3 iterations.
iteration 3: trace = 0.30144716227416 (0.0703598% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3014388140917266 (0.00276941% change)
linmin: converged after 3 iterations.
iteration 5: trace = 0.3014386435309356 (5.65822e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.3014386380615978 (1.81441e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.3014386378123749 (8.26778e-08% change)
linmin: converged after 15 iterations.
iteration 8: trace = 0.3014386377980787 (4.74265e-09% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.3014386377957537 (7.71292e-10% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.3014386377955973 (5.1913e-11% change)
Finished solving for bands 1 to 2 after 10 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572
elapsed time for k point: 0.01495361328125
solve_kpoint (0,0,0):
Solving for bands 2 to 2...
linmin: converged after 5 iterations.
iteration 1: trace = 0.3082775823540695 (5.57215% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.3031076120438351 (1.69123% change)
linmin: converged after 4 iterations.
iteration 3: trace = 0.3026170118071231 (0.161988% change)
linmin: converged after 4 iterations.
iteration 4: trace = 0.3025983731804751 (0.00615934% change)
linmin: converged after 4 iterations.
iteration 5: trace = 0.3025961722516379 (0.000727346% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.3025957192638609 (0.000149701% change)
linmin: converged after 2 iterations.
iteration 7: trace = 0.3025956975678885 (7.16995e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.3025956961202267 (4.78415e-07% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.3025956959692816 (4.98834e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.3025956959418699 (9.05885e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 0.3025956959407161 (3.81301e-10% change)
linmin: converged after 3 iterations.
iteration 12: trace = 0.3025956959406542 (2.04547e-11% change)
Finished solving for bands 2 to 2 after 12 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087
.elapsed time for k point: 0.011008977890014648
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232133 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.46151218989969184 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819287 at Vector3<0.5, 0.5, 0.0>
Gap from band 1 (0.31744412297232133) to band 2 (0.46151218989969184), 36.990024869608234%
total elapsed time for run: 0.29578614234924316
done
/tmp/meepNmMUdV/test_maximize_first_tm_gap-0: 1.23s
/tmp/meepNmMUdV/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: 0.004980325698852539
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.39040255546569824
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.2431378364562988
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.5789084434509277
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.33829641342163086
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.5216522216796875
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.8432421684265137
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.3111135959625244
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.6148838996887207
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.5584976673126221
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.19626188278198242
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.24866056442260742
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.27300095558166504
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.16555070877075195
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.3617737293243408
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.42745065689086914
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.7658050060272217
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 7.845916748046875
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
real part range: -1.10098 .. 1.10098
imag part range: -0.00870098 .. 0.00766384
real part range: -1.10099 .. 1.10099
imag part range: -0.00766496 .. 0.00870069
real part range: 0 .. 0
imag part range: 0 .. 0
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(1, 0, 0)
(0, 1, 0)
(0, 0, 1)
Cell volume = 1
Reciprocal lattice vectors (/ 2 pi):
(1, -0, 0)
(-0, 1, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.1, 0.0, 0.0>
Vector3<0.2, 0.0, 0.0>
Vector3<0.30000000000000004, 0.0, 0.0>
Vector3<0.4, 0.0, 0.0>
Vector3<0.5, 0.0, 0.0>
Vector3<0.5, 0.1, 0.0>
Vector3<0.5, 0.2, 0.0>
Vector3<0.5, 0.30000000000000004, 0.0>
Vector3<0.5, 0.4, 0.0>
Vector3<0.5, 0.5, 0.0>
Vector3<0.4, 0.4, 0.0>
Vector3<0.3, 0.3, 0.0>
Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
Vector3<0.0, 0.0, 0.0>
elapsed time for initialization: 0.003926753997802734
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.44992852210998535
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 2.0589277744293213
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.1990339756011963
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.6038510799407959
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.30338573455810547
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.34462976455688477
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.5698459148406982
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.43701791763305664
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.1944746971130371
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.4669170379638672
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.18142175674438477
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.1435682773590088
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.1942586898803711
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.2997140884399414
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.2672421932220459
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.5406749248504639
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 7.260775804519653
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
real part range: -1.10098 .. 1.10098
imag part range: -0.00870098 .. 0.00766384
real part range: -1.10099 .. 1.10099
imag part range: -0.00766496 .. 0.00870069
real part range: 0 .. 0
imag part range: 0 .. 0
./tmp/meepNmMUdV/test_multiply_bloch_in_mpb_data-0: 15.22s
/tmp/meepNmMUdV/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: 0.00399327278137207
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.4924945831298828
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.4534051418304443
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.33231616020202637
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.19042110443115234
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.3025202751159668
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.5372359752655029
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.34014010429382324
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.5297207832336426
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.18421220779418945
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.17995619773864746
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.262453556060791
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.13794779777526855
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.37728333473205566
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.30446791648864746
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.283383846282959
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.8623027801513672
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 6.776417255401611
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
./tmp/meepNmMUdV/test_multiply_bloch_phase-0: 6.78s
/tmp/meepNmMUdV/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: 0.003939628601074219
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.49152660369873047
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.254688024520874
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.7589869499206543
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.2057795524597168
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.23887324333190918
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.5127837657928467
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.3739771842956543
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.28777337074279785
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.21875
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.23914122581481934
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.22349095344543457
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.2202439308166504
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.23238825798034668
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.4437863826751709
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.4092066287994385
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 1.430375099182129
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 7.5480756759643555
done
Fixing e-field (band 8) phase by 2.61271e-07 + 1i; max ampl. = 1.10099
.Outputting complex scalar field to /tmp/meepNmMUdV/test_output_charge_density-0-C.k16.b08.te.h5...
/tmp/meepNmMUdV/test_output_charge_density-0: 7.56s
/tmp/meepNmMUdV/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: 0.003922939300537109
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.5646727085113525
D-energy-components:, 1, 1, 0, 0, 0
dpwr:, 1, 0.0, 0.0
D-energy-components:, 1, 2, 0.500003, 0.499997, 0
dpwr:, 2, 0.5527092320102558, 0.8567435000049138
Outputting fields to /tmp/meepNmMUdV/test_output_dpwr_in_objects-0-d.k01.b02.te.h5...
D-energy-components:, 1, 3, 0.455928, 0.544072, 0
dpwr:, 3, 0.7732265593069425, 0.5288260557980025
D-energy-components:, 1, 4, 0.544076, 0.455924, 0
dpwr:, 4, 0.7732298839480435, 0.5288079654921338
D-energy-components:, 1, 5, 0.5, 0.5, 0
dpwr:, 5, 0.9229965195854473, 0.08910010798046349
D-energy-components:, 1, 6, 0.125495, 0.874505, 0
dpwr:, 6, 1.000171117688413, 0.40124649301804716
D-energy-components:, 1, 7, 0.874503, 0.125497, 0
dpwr:, 7, 1.0001720032258756, 0.4012519910570854
D-energy-components:, 1, 8, 0.499992, 0.500008, 0
dpwr:, 8, 1.0928209317476265, 0.28720566826377647
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.6901142597198486
D-energy-components:, 2, 1, 0.0311142, 0.968886, 0
dpwr:, 1, 0.08973322605272535, 0.04603176936931879
D-energy-components:, 2, 2, 0.488088, 0.511912, 0
dpwr:, 2, 0.5511376869744274, 0.8445541869972999
D-energy-components:, 2, 3, 0.219526, 0.780474, 0
dpwr:, 3, 0.76159973555864, 0.4427396122966541
D-energy-components:, 2, 4, 0.779994, 0.220006, 0
dpwr:, 4, 0.774682184614493, 0.536749112341897
D-energy-components:, 2, 5, 0.333449, 0.666551, 0
dpwr:, 5, 0.9071987086409558, 0.3120181983255001
D-energy-components:, 2, 6, 0.881419, 0.118581, 0
dpwr:, 6, 1.001877952940223, 0.3891333928974031
D-energy-components:, 2, 7, 0.392233, 0.607767, 0
dpwr:, 7, 1.0035701586968462, 0.2776208840057367
D-energy-components:, 2, 8, 0.507954, 0.492046, 0
dpwr:, 8, 1.1020906511633575, 0.6676492387493533
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.24689865112304688
D-energy-components:, 3, 1, 0.0363561, 0.963644, 0
dpwr:, 1, 0.1786920044640263, 0.05442207262852542
D-energy-components:, 3, 2, 0.446363, 0.553637, 0
dpwr:, 2, 0.5448958802776014, 0.794273793681514
D-energy-components:, 3, 3, 0.23103, 0.76897, 0
dpwr:, 3, 0.7285335884676533, 0.30077174113971683
D-energy-components:, 3, 4, 0.758854, 0.241146, 0
dpwr:, 4, 0.7785279987553598, 0.5586605740288401
D-energy-components:, 3, 5, 0.240477, 0.759523, 0
dpwr:, 5, 0.8802435456076888, 0.5941655354266827
D-energy-components:, 3, 6, 0.863785, 0.136215, 0
dpwr:, 6, 1.0069870419364988, 0.35472339076138104
D-energy-components:, 3, 7, 0.585239, 0.414761, 0
dpwr:, 7, 1.0169614533587057, 0.21322445833844317
D-energy-components:, 3, 8, 0.535346, 0.464654, 0
dpwr:, 8, 1.1002742200343303, 0.6232654987181568
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.21985173225402832
D-energy-components:, 4, 1, 0.0468976, 0.953102, 0
dpwr:, 1, 0.2657976067157466, 0.07189021130587141
D-energy-components:, 4, 2, 0.35602, 0.64398, 0
dpwr:, 2, 0.528175580889728, 0.6596795148872735
D-energy-components:, 4, 3, 0.27068, 0.72932, 0
dpwr:, 3, 0.685449168526309, 0.30054212529308105
D-energy-components:, 4, 4, 0.732284, 0.267716, 0
dpwr:, 4, 0.7833774318115911, 0.5880663066285085
D-energy-components:, 4, 5, 0.261431, 0.738569, 0
dpwr:, 5, 0.8607144514828623, 0.7295588531246435
D-energy-components:, 4, 6, 0.829353, 0.170647, 0
dpwr:, 6, 1.015152030425297, 0.30554099771330806
D-energy-components:, 4, 7, 0.603026, 0.396974, 0
dpwr:, 7, 1.0384314734879114, 0.24673894372126293
D-energy-components:, 4, 8, 0.592482, 0.407518, 0
dpwr:, 8, 1.096639214965609, 0.5396650770552023
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.2105119228363037
D-energy-components:, 5, 1, 0.0662302, 0.93377, 0
dpwr:, 1, 0.34895594992452517, 0.10384524472340306
D-energy-components:, 5, 2, 0.226367, 0.773633, 0
dpwr:, 2, 0.49073844761783214, 0.4356739544115278
D-energy-components:, 5, 3, 0.351613, 0.648387, 0
dpwr:, 3, 0.6527974478809138, 0.4481425123489123
D-energy-components:, 5, 4, 0.710454, 0.289546, 0
dpwr:, 4, 0.7873816318426055, 0.613901176676964
D-energy-components:, 5, 5, 0.295332, 0.704668, 0
dpwr:, 5, 0.8499993146942643, 0.7699338908225002
D-energy-components:, 5, 6, 0.77736, 0.22264, 0
dpwr:, 6, 1.0244294608784883, 0.2578911954965593
D-energy-components:, 5, 7, 0.546257, 0.453743, 0
dpwr:, 7, 1.0644076666285345, 0.33221314071464336
D-energy-components:, 5, 8, 0.681176, 0.318824, 0
dpwr:, 8, 1.091208062115503, 0.4329317404210019
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.47478389739990234
D-energy-components:, 6, 1, 0.0773009, 0.922699, 0
dpwr:, 1, 0.4127906712654537, 0.08603996686487969
D-energy-components:, 6, 2, 0.165167, 0.834833, 0
dpwr:, 2, 0.441588449722544, 0.3584484766510552
D-energy-components:, 6, 3, 0.391615, 0.608385, 0
dpwr:, 3, 0.6419977365450052, 0.5328472337437873
D-energy-components:, 6, 4, 0.702039, 0.297961, 0
dpwr:, 4, 0.7889329895480995, 0.6242704622247064
D-energy-components:, 6, 5, 0.308697, 0.691303, 0
dpwr:, 5, 0.846587869582527, 0.7771267587387292
D-energy-components:, 6, 6, 0.742736, 0.257264, 0
dpwr:, 6, 1.0291597050650219, 0.23681211415368073
D-energy-components:, 6, 7, 0.350801, 0.649199, 0
dpwr:, 7, 1.0860729323594138, 0.5782428829117007
D-energy-components:, 6, 8, 0.737396, 0.262604, 0
dpwr:, 8, 1.087868963505269, 0.37950816222974504
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.4387693405151367
D-energy-components:, 7, 1, 0.12807, 0.87193, 0
dpwr:, 1, 0.42374146132378676, 0.08405292712340615
D-energy-components:, 7, 2, 0.190236, 0.809764, 0
dpwr:, 2, 0.4457807037098027, 0.3749021561077718
D-energy-components:, 7, 3, 0.394034, 0.605966, 0
dpwr:, 3, 0.6382302673378552, 0.5082270947616313
D-energy-components:, 7, 4, 0.691881, 0.308119, 0
dpwr:, 4, 0.7931468861820271, 0.6251503072235425
D-energy-components:, 7, 5, 0.335703, 0.664297, 0
dpwr:, 5, 0.8429434922386819, 0.7355775624891373
D-energy-components:, 7, 6, 0.716117, 0.283883, 0
dpwr:, 6, 0.9865231609182574, 0.18697860294069477
D-energy-components:, 7, 7, 0.592896, 0.407104, 0
dpwr:, 7, 1.050175581717464, 0.40777640941204735
D-energy-components:, 7, 8, 0.507261, 0.492739, 0
dpwr:, 8, 1.1038343097294314, 0.6404816835811383
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.3891463279724121
D-energy-components:, 8, 1, 0.253956, 0.746044, 0
dpwr:, 1, 0.45478127251547096, 0.08020083733719105
D-energy-components:, 8, 2, 0.258536, 0.741464, 0
dpwr:, 2, 0.45743397685749826, 0.42543224667942553
D-energy-components:, 8, 3, 0.39346, 0.60654, 0
dpwr:, 3, 0.6278984163475778, 0.43806479968823264
D-energy-components:, 8, 4, 0.668133, 0.331867, 0
dpwr:, 4, 0.8052541518094475, 0.6230094255521763
D-energy-components:, 8, 5, 0.454908, 0.545092, 0
dpwr:, 5, 0.8261006682422061, 0.5373015422302753
D-energy-components:, 8, 6, 0.562281, 0.437719, 0
dpwr:, 6, 0.927944859792417, 0.3526636498457799
D-energy-components:, 8, 7, 0.614808, 0.385192, 0
dpwr:, 7, 1.0045628522255503, 0.42073899378393825
D-energy-components:, 8, 8, 0.497393, 0.502607, 0
dpwr:, 8, 1.1087925543150006, 0.7279717672181147
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.20063447952270508
D-energy-components:, 9, 1, 0.353246, 0.646754, 0
dpwr:, 1, 0.4737665959361228, 0.5125827722133006
D-energy-components:, 9, 2, 0.406264, 0.593736, 0
dpwr:, 2, 0.5012788429465532, 0.07946478028057564
D-energy-components:, 9, 3, 0.37582, 0.62418, 0
dpwr:, 3, 0.6135801757468713, 0.32881162370401207
D-energy-components:, 9, 4, 0.604014, 0.395986, 0
dpwr:, 4, 0.781466869323818, 0.22327322644250844
D-energy-components:, 9, 5, 0.642263, 0.357737, 0
dpwr:, 5, 0.8241814443502193, 0.6095695047973156
D-energy-components:, 9, 6, 0.357719, 0.642281, 0
dpwr:, 6, 0.8949492139663711, 0.6540286383396772
D-energy-components:, 9, 7, 0.617321, 0.382679, 0
dpwr:, 7, 0.9590511572130661, 0.4618905860736039
D-energy-components:, 9, 8, 0.497742, 0.502258, 0
dpwr:, 8, 1.1106978152214082, 0.761549817160464
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.24992632865905762
D-energy-components:, 10, 1, 0.450645, 0.549355, 0
dpwr:, 1, 0.4896492003298964, 0.6285469371617572
D-energy-components:, 10, 2, 0.55965, 0.44035, 0
dpwr:, 2, 0.5560451343598175, 0.0903499596306573
D-energy-components:, 10, 3, 0.336621, 0.663379, 0
dpwr:, 3, 0.5995699405207214, 0.19597806182936175
D-energy-components:, 10, 4, 0.593365, 0.406635, 0
dpwr:, 4, 0.7196106755137293, 0.08289042691239858
D-energy-components:, 10, 5, 0.620299, 0.379701, 0
dpwr:, 5, 0.8492467967258338, 0.577797196952117
D-energy-components:, 10, 6, 0.283543, 0.716457, 0
dpwr:, 6, 0.8843373771777044, 0.7772986149165845
D-energy-components:, 10, 7, 0.618314, 0.381686, 0
dpwr:, 7, 0.9171675057709634, 0.5159863025137524
D-energy-components:, 10, 8, 0.499316, 0.500684, 0
dpwr:, 8, 1.111621057536398, 0.7756611032532745
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.22509980201721191
D-energy-components:, 11, 1, 0.500002, 0.499998, 0
dpwr:, 1, 0.49683586474489916, 0.698636026235475
D-energy-components:, 11, 2, 0.490408, 0.509592, 0
dpwr:, 2, 0.5931405141160883, 0.1196586178679453
D-energy-components:, 11, 3, 0.509591, 0.490409, 0
dpwr:, 3, 0.5931535863117827, 0.11954218308179224
D-energy-components:, 11, 4, 0.499999, 0.500001, 0
dpwr:, 4, 0.6791690130757012, 0.026633379719919272
D-energy-components:, 11, 5, 0.5, 0.5, 0
dpwr:, 5, 0.8786838141604536, 0.2997497622839807
D-energy-components:, 11, 6, 0.362, 0.638, 0
dpwr:, 6, 0.881977091666068, 0.8023568424744522
D-energy-components:, 11, 7, 0.638005, 0.361995, 0
dpwr:, 7, 0.881981813442184, 0.8023816357258953
D-energy-components:, 11, 8, 0.499999, 0.500001, 0
dpwr:, 8, 1.1119173707556937, 0.7797381408708148
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.16626739501953125
D-energy-components:, 12, 1, 0.500001, 0.499999, 0
dpwr:, 1, 0.4709868954434166, 0.4184573101716424
D-energy-components:, 12, 2, 0.5, 0.5, 0
dpwr:, 2, 0.5460026488335804, 0.3658958857200597
D-energy-components:, 12, 3, 0.5, 0.5, 0
dpwr:, 3, 0.6067323336356566, 0.1256061520442118
D-energy-components:, 12, 4, 0.499999, 0.500001, 0
dpwr:, 4, 0.7436021910476281, 0.11295231544475384
D-energy-components:, 12, 5, 0.499995, 0.500005, 0
dpwr:, 5, 0.8392225951317921, 0.5738505597977357
D-energy-components:, 12, 6, 0.500004, 0.499996, 0
dpwr:, 6, 0.8822539391893149, 0.7904020720487933
D-energy-components:, 12, 7, 0.500006, 0.499994, 0
dpwr:, 7, 0.9369700961990091, 0.48184989547070506
D-energy-components:, 12, 8, 0.499999, 0.500001, 0
dpwr:, 8, 1.1112079237958845, 0.770610082838527
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.18665766716003418
D-energy-components:, 13, 1, 0.499999, 0.500001, 0
dpwr:, 1, 0.37243467691290155, 0.12237408338139008
D-energy-components:, 13, 2, 0.500002, 0.499998, 0
dpwr:, 2, 0.5361862884392887, 0.6769327340989405
D-energy-components:, 13, 3, 0.5, 0.5, 0
dpwr:, 3, 0.6445723178214436, 0.15055644500913942
D-energy-components:, 13, 4, 0.499998, 0.500002, 0
dpwr:, 4, 0.8096891551677109, 0.5562411649880549
D-energy-components:, 13, 5, 0.499996, 0.500004, 0
dpwr:, 5, 0.8258043934212932, 0.24643500245468974
D-energy-components:, 13, 6, 0.500008, 0.499992, 0
dpwr:, 6, 0.8836423042160474, 0.7471141728536034
D-energy-components:, 13, 7, 0.5, 0.5, 0
dpwr:, 7, 1.0102032173309077, 0.3807469886775263
D-energy-components:, 13, 8, 0.5, 0.5, 0
dpwr:, 8, 1.1072514719865556, 0.7236183032341824
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.29447412490844727
D-energy-components:, 14, 1, 0.499999, 0.500001, 0
dpwr:, 1, 0.2520880962287429, 0.06537222988414773
D-energy-components:, 14, 2, 0.500003, 0.499997, 0
dpwr:, 2, 0.5428871357208419, 0.776089779274942
D-energy-components:, 14, 3, 0.500001, 0.499999, 0
dpwr:, 3, 0.6980810670314983, 0.2209621669851284
D-energy-components:, 14, 4, 0.5, 0.5, 0
dpwr:, 4, 0.7893713580516223, 0.5549181091420519
D-energy-components:, 14, 5, 0.499969, 0.500031, 0
dpwr:, 5, 0.8884826102636716, 0.6405660798575922
D-energy-components:, 14, 6, 0.500033, 0.499967, 0
dpwr:, 6, 0.8978578700405538, 0.31622629536251884
D-energy-components:, 14, 7, 0.499994, 0.500006, 0
dpwr:, 7, 1.0788413408293993, 0.46522856193932866
D-energy-components:, 14, 8, 0.500005, 0.499995, 0
dpwr:, 8, 1.090385645879672, 0.5462861490341253
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.3266482353210449
D-energy-components:, 15, 1, 0.499999, 0.500001, 0
dpwr:, 1, 0.12684106903469353, 0.047952797705435486
D-energy-components:, 15, 2, 0.500003, 0.499997, 0
dpwr:, 2, 0.5499075072904063, 0.8350614780723612
D-energy-components:, 15, 3, 0.499999, 0.500001, 0
dpwr:, 3, 0.7503777100615932, 0.38702956037312425
D-energy-components:, 15, 4, 0.500004, 0.499996, 0
dpwr:, 4, 0.7772608508874305, 0.5369475337126824
D-energy-components:, 15, 5, 0.499997, 0.500003, 0
dpwr:, 5, 0.9030590134928066, 0.39062131308644865
D-energy-components:, 15, 6, 0.500003, 0.499997, 0
dpwr:, 6, 0.9619844143351244, 0.3640423031892137
D-energy-components:, 15, 7, 0.500001, 0.499999, 0
dpwr:, 7, 1.0419064972740384, 0.3229108453554062
D-energy-components:, 15, 8, 0.499999, 0.500001, 0
dpwr:, 8, 1.1000367447866688, 0.648922709689131
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.7456645965576172
D-energy-components:, 16, 1, 0, 0, 0
dpwr:, 1, 0.0, 0.0
D-energy-components:, 16, 2, 0.500003, 0.499997, 0
dpwr:, 2, 0.5527092320101988, 0.8567434642215929
Outputting fields to /tmp/meepNmMUdV/test_output_dpwr_in_objects-0-d.k16.b02.te.h5...
D-energy-components:, 16, 3, 0.455928, 0.544072, 0
dpwr:, 3, 0.7732265593069757, 0.5288260828563163
D-energy-components:, 16, 4, 0.544076, 0.455924, 0
dpwr:, 4, 0.773229883948055, 0.52880796857026
D-energy-components:, 16, 5, 0.5, 0.5, 0
dpwr:, 5, 0.9229965195855863, 0.08910054416160851
D-energy-components:, 16, 6, 0.125495, 0.874505, 0
dpwr:, 6, 1.0001711176882837, 0.40124662932457655
D-energy-components:, 16, 7, 0.874503, 0.125497, 0
dpwr:, 7, 1.0001720032257027, 0.4012520176853139
D-energy-components:, 16, 8, 0.499991, 0.500009, 0
.dpwr:, 8, 1.0928209317477913, 0.28720537908724586
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 6.990345239639282
done
/tmp/meepNmMUdV/test_output_dpwr_in_objects-0: 6.99s
/tmp/meepNmMUdV/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: 0.005057573318481445
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 11 iterations.
iteration 1: trace = 13.34219610907293 (195.048% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.483795574359497 (83.4846% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.748523532215192 (14.3716% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.479228674727943 (5.83663% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.407766153611952 (1.60825% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.39347495621681 (0.324754% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.387914820099373 (0.126635% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.384214110537608 (0.0843743% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.382673979920924 (0.0351352% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.381187024151609 (0.0339338% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.378592064831688 (0.0592471% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.375630652842539 (0.0676568% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.374037327346271 (0.0364203% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.373782477053666 (0.0058266% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.373742613449529 (0.000911426% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.373730192653552 (0.000283986% change)
linmin: converged after 5 iterations.
iteration 17: trace = 4.373724731089855 (0.000124872% change)
linmin: converged after 8 iterations.
iteration 18: trace = 4.373723431189945 (2.97207e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.373722977265679 (1.03784e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.373722547637936 (9.82293e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 4.373721986617014 (1.28271e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.373721450685765 (1.22534e-05% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.373721224632032 (5.16845e-06% change)
linmin: converged after 5 iterations.
iteration 24: trace = 4.373721180253193 (1.01467e-06% change)
linmin: converged after 6 iterations.
iteration 25: trace = 4.373721172519962 (1.76811e-07% change)
linmin: converged after 8 iterations.
iteration 26: trace = 4.373721170365205 (4.9266e-08% change)
linmin: converged after 6 iterations.
iteration 27: trace = 4.373721169530129 (1.9093e-08% change)
linmin: converged after 7 iterations.
iteration 28: trace = 4.373721169259902 (6.17843e-09% change)
linmin: converged after 4 iterations.
iteration 29: trace = 4.373721169186922 (1.6686e-09% change)
linmin: converged after 3 iterations.
iteration 30: trace = 4.373721169145552 (9.45867e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.373721169066982 (1.79641e-09% change)
linmin: converged after 5 iterations.
iteration 32: trace = 4.373721168966418 (2.29928e-09% change)
linmin: converged after 9 iterations.
iteration 33: trace = 4.373721168940519 (5.92157e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 4.373721168933669 (1.56629e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 4.373721168927967 (1.30352e-10% change)
linmin: converged after 5 iterations.
iteration 36: trace = 4.373721168920081 (1.80307e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 4.373721168904355 (3.59559e-10% change)
large trace change predicted (9.95411e-10%)
linmin: converged after 15 iterations.
iteration 38: trace = 4.373721168860818 (9.95437e-10% change)
large trace change predicted (4.53495e-09%)
linmin: converged after 5 iterations.
iteration 39: trace = 4.373721168662463 (4.53514e-09% change)
large trace change predicted (2.06993e-08%)
linmin: converged after 4 iterations.
iteration 40: trace = 4.373721167757135 (2.06993e-08% change)
large trace change predicted (8.12547e-08%)
linmin: converged after 8 iterations.
iteration 41: trace = 4.373721164203358 (8.12529e-08% change)
linmin: converged after 8 iterations.
iteration 42: trace = 4.373721158306188 (1.34832e-07% change)
linmin: converged after 12 iterations.
iteration 43: trace = 4.373721154434914 (8.85121e-08% change)
linmin: converged after 6 iterations.
iteration 44: trace = 4.373721151273171 (7.22896e-08% change)
large trace change predicted (2.03261e-07%)
linmin: converged after 6 iterations.
iteration 45: trace = 4.373721142383144 (2.0326e-07% change)
large trace change predicted (4.9274e-07%)
linmin: converged after 8 iterations.
iteration 46: trace = 4.373721120835437 (4.92663e-07% change)
linmin: converged after 5 iterations.
iteration 47: trace = 4.373721077940697 (9.80738e-07% change)
large trace change predicted (2.05484e-06%)
linmin: converged after 6 iterations.
iteration 48: trace = 4.373720988619072 (2.04223e-06% change)
linmin: converged after 8 iterations.
iteration 49: trace = 4.373720903714371 (1.94125e-06% change)
linmin: converged after 6 iterations.
iteration 50: trace = 4.373720867157155 (8.35838e-07% change)
linmin: converged after 8 iterations.
iteration 51: trace = 4.373720856044006 (2.54089e-07% change)
linmin: converged after 5 iterations.
iteration 52: trace = 4.373720853588456 (5.61433e-08% change)
linmin: converged after 4 iterations.
iteration 53: trace = 4.373720853008142 (1.32682e-08% change)
linmin: converged after 5 iterations.
iteration 54: trace = 4.373720852589099 (9.58092e-09% change)
linmin: converged after 5 iterations.
iteration 55: trace = 4.373720851988566 (1.37305e-08% change)
linmin: converged after 5 iterations.
iteration 56: trace = 4.37372085152149 (1.06791e-08% change)
linmin: converged after 5 iterations.
iteration 57: trace = 4.373720851245718 (6.30521e-09% change)
linmin: converged after 10 iterations.
iteration 58: trace = 4.37372085109532 (3.43867e-09% change)
linmin: converged after 4 iterations.
iteration 59: trace = 4.373720851044142 (1.17012e-09% change)
linmin: converged after 4 iterations.
iteration 60: trace = 4.3737208510345 (2.20455e-10% change)
linmin: converged after 4 iterations.
iteration 61: trace = 4.373720851032911 (3.63295e-11% change)
Finished solving for bands 2 to 8 after 61 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
elapsed time for k point: 0.6155688762664795
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.357909597334268 (1.16097% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.317128652812811 (0.940191% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.299320141341338 (0.413361% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.292732192743269 (0.15335% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.291500652925099 (0.0286931% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.291042414907309 (0.0106784% change)
linmin: converged after 7 iterations.
iteration 7: trace = 4.290902808803652 (0.00325348% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.290872119433141 (0.000715222% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.290863227385375 (0.000207232% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.290859496349271 (8.69531e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.290858035139753 (3.4054e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.290857390247148 (1.50295e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.290857285464299 (2.442e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.290857271946838 (3.15029e-07% change)
linmin: converged after 7 iterations.
iteration 15: trace = 4.290857267539305 (1.02719e-07% change)
linmin: converged after 10 iterations.
iteration 16: trace = 4.290857264553474 (6.95859e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.290857263488423 (2.48214e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.290857263235875 (5.88573e-09% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.290857263156742 (1.84423e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.290857263115518 (9.60738e-10% change)
linmin: converged after 3 iterations.
iteration 21: trace = 4.290857263096178 (4.50728e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.290857263085607 (2.46343e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.290857263081686 (9.13875e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995
elapsed time for k point: 0.275515079498291
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 4.213083007785705 (0.515635% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.209110336659554 (0.0943382% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.208519740784533 (0.0140324% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.208361881259885 (0.00375102% change)
linmin: converged after 9 iterations.
iteration 5: trace = 4.208319555170473 (0.00100577% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.208309586621541 (0.000236877% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.208308119593182 (3.48603e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.208307969493145 (3.56675e-06% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.208307959679195 (2.33204e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.208307958636428 (2.47788e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.20830795853723 (2.35722e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.208307958520754 (3.91504e-10% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.208307958519127 (3.8665e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959
elapsed time for k point: 0.13847804069519043
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.153950019177618 (0.446607% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.150919188029379 (0.0729893% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.150508696750682 (0.00988965% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.15045166063172 (0.00137421% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.150445322388951 (0.000152712% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.150444374952516 (2.28273e-05% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.150444119567915 (6.15319e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.150444028145891 (2.2027e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.150444017167717 (2.64506e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.150444015934403 (2.97152e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.150444015836714 (2.35372e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.150444015829236 (1.80163e-10% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.150444015828809 (1.02932e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025
elapsed time for k point: 0.1915879249572754
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.123910812540129 (0.437379% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.120357431810881 (0.0862025% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.119753435230959 (0.0146599% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.119635726773634 (0.00285721% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.119609536145729 (0.000635753% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.119601717815908 (0.000189783% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.119598937494709 (6.74901e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.119598626308933 (7.55379e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.11959860053952 (6.25532e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.119598598763426 (4.31133e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.119598598629697 (3.24618e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.119598598622133 (1.83604e-10% change)
linmin: converged after 15 iterations.
iteration 13: trace = 4.119598598621691 (1.07368e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269
elapsed time for k point: 0.1288290023803711
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.117165244647103 (0.467232% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.112183070107524 (0.121083% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.111188770166956 (0.0241823% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.110889360751753 (0.00728306% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.110807039964517 (0.00200253% change)
linmin: converged after 8 iterations.
iteration 6: trace = 4.110783674084841 (0.000568403% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.110777732801949 (0.000144529% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.110777279787364 (1.10202e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.110777245125227 (8.43202e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.110777242910479 (5.38766e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.11077724273806 (4.19433e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.110777242727877 (2.47692e-10% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.110777242725125 (6.69573e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856
elapsed time for k point: 0.15613055229187012
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.110059673681176 (0.898081% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.101196127928676 (0.215888% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.099627971489972 (0.0382439% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.099504340254177 (0.00301572% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.099491102143227 (0.00032292% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.099490015388636 (2.65095e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.099489970449422 (1.09621e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.099489966039663 (1.07568e-07% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.099489964533704 (3.67353e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.099489964290492 (5.93273e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.099489964275826 (3.57742e-10% change)
linmin: converged after 15 iterations.
iteration 12: trace = 4.099489964274799 (2.50671e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714
elapsed time for k point: 0.26412343978881836
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.085144174621296 (0.762403% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.080119303675819 (0.123079% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.079494012385524 (0.0153265% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.079455619800634 (0.000941116% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.079453223619909 (5.87378e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.079452946245482 (6.7993e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.079452904344983 (1.02711e-06% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.079452897007466 (1.79865e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.079452895879316 (2.76544e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.079452895806831 (1.77683e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.07945289580348 (8.21458e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395
elapsed time for k point: 0.22761130332946777
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.072736189550934 (0.634086% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.069415883231376 (0.0815584% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.068882752148268 (0.0131018% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.068777004347966 (0.00259897% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.068760919591242 (0.000395322% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.06875937327654 (3.80046e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.06875928297324 (2.21943e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.068759277104999 (1.44227e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.068759276275498 (2.03871e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.06875927613926 (3.34841e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.068759276129622 (2.36869e-10% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.068759276129137 (1.19188e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203
elapsed time for k point: 0.11933565139770508
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.080410130891642 (0.563614% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.077287055235415 (0.0765676% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.076189573111655 (0.0269206% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.075628903758915 (0.0137557% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.07553431432466 (0.00232088% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.075527488473313 (0.000167484% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.075526996525165 (1.20708e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.075526953563658 (1.05413e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.075526950544544 (7.40791e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.075526949795472 (1.83798e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.07552694947602 (7.83828e-09% change)
linmin: converged after 13 iterations.
iteration 12: trace = 4.07552694936935 (2.61734e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.075526949350731 (4.56846e-10% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.075526949349669 (2.60644e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273
elapsed time for k point: 0.14482450485229492
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.109437150043211 (0.504849% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.10533579281517 (0.0998532% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.100307330549131 (0.122561% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.093803283589707 (0.158749% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.092241780664412 (0.0381504% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.092157123982814 (0.00206873% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.09215125746551 (0.00014336% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.092150666963198 (1.44301e-05% change)
linmin: converged after 7 iterations.
iteration 9: trace = 4.092150601221078 (1.60654e-06% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.092150512656763 (2.16425e-06% change)
linmin: converged after 16 iterations.
iteration 11: trace = 4.092150442817841 (1.70666e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.092150434447514 (2.04546e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.092150433678662 (1.87885e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.092150433621967 (1.38546e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.092150433618242 (9.10284e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351
elapsed time for k point: 0.15696978569030762
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.126496079114834 (1.11623% change)
linmin: converged after 6 iterations.
iteration 2: trace = 4.089161342233001 (0.908868% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.060628566742863 (0.700209% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.050071416846814 (0.260326% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.047172154685756 (0.0716111% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.046719139225115 (0.011194% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.046656969292298 (0.00153632% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.046652828280002 (0.000102332% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.046652402979411 (1.05099e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.046652262576797 (3.4696e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.046652203574183 (1.45806e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.046652185410185 (4.48865e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.046652183788297 (4.00797e-08% change)
linmin: converged after 12 iterations.
iteration 14: trace = 4.046652183683061 (2.60059e-09% change)
linmin: converged after 6 iterations.
iteration 15: trace = 4.046652183677346 (1.41216e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.046652183676479 (2.14217e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991
elapsed time for k point: 0.15748262405395508
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.050135770395022 (0.874564% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.045155903188768 (0.123031% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.044571128819173 (0.0144572% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.044524919705371 (0.0011425% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.044514961032807 (0.000246226% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.044513397485699 (3.86585e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.044513255709431 (3.5054e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.044513238601187 (4.22999e-07% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.044513236602915 (4.9407e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.044513236418497 (4.5597e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.044513236398146 (5.03193e-10% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.04451323639685 (3.20398e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446
elapsed time for k point: 0.14026713371276855
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.118867255840121 (0.847851% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.114002611070042 (0.118176% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.113487291394073 (0.0125268% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.113430197532733 (0.00138798% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.113416441704805 (0.000334413% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.113415367601674 (2.61122e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.113415271030417 (2.34771e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.113415260853631 (2.47405e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.113415259902216 (2.31296e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.113415259769445 (3.22776e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.113415259756534 (3.13865e-10% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.113415259755486 (2.54788e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551
elapsed time for k point: 0.10754823684692383
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.250028477177001 (0.917879% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.242313588668812 (0.18169% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.241112167052035 (0.028324% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.240834092995955 (0.00655685% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.240767169311716 (0.00157809% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.240753129287403 (0.000331073% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.240750094772398 (7.15561e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.240749691476933 (9.51e-06% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.24074964734328 (1.0407e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.240749642492661 (1.14381e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.240749642080627 (9.71606e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.240749642034737 (1.08213e-09% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.240749642029143 (1.31905e-10% change)
linmin: converged after 7 iterations.
iteration 14: trace = 4.240749642028247 (2.11324e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882
elapsed time for k point: 0.23502111434936523
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.407939681690886 (1.14495% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.390606022122409 (0.394012% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.386367409936512 (0.0965848% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.384518225127987 (0.0421664% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.382809892382551 (0.0389704% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.380355369238238 (0.0560191% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.377811906462434 (0.0580821% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.375795817306049 (0.046063% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.374248315398602 (0.0353713% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.373812357837436 (0.00996695% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.373736281003571 (0.00173939% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.3737256310154 (0.000243499% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.373723713248076 (4.38475e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.37372304371763 (1.5308e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.373722607982313 (9.96257e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.373722430078841 (4.06755e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.373722281618413 (3.39437e-06% change)
large trace change predicted (8.38718e-06%)
linmin: converged after 5 iterations.
iteration 18: trace = 4.37372191477277 (8.38749e-06% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.373721775011841 (3.19547e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.373721750854232 (5.52335e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.373721743706726 (1.63419e-07% change)
linmin: converged after 33 iterations.
iteration 22: trace = 4.373721741956162 (4.00246e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.373721741656365 (6.85452e-09% change)
linmin: converged after 6 iterations.
iteration 24: trace = 4.373721741513575 (3.26472e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.373721741466505 (1.0762e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 4.373721741452129 (3.28692e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 4.373721741432794 (4.42066e-10% change)
large trace change predicted (8.95069e-10%)
linmin: converged after 11 iterations.
iteration 28: trace = 4.37372174139364 (8.95221e-10% change)
linmin: converged after 7 iterations.
iteration 29: trace = 4.373721741340035 (1.2256e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.373721741314159 (5.91629e-10% change)
linmin: converged after 10 iterations.
iteration 31: trace = 4.373721741304111 (2.29735e-10% change)
large trace change predicted (8.84859e-10%)
linmin: converged after 5 iterations.
iteration 32: trace = 4.373721741265409 (8.84884e-10% change)
large trace change predicted (1.78893e-09%)
linmin: converged after 8 iterations.
iteration 33: trace = 4.373721741187168 (1.78888e-09% change)
linmin: converged after 15 iterations.
iteration 34: trace = 4.373721741036681 (3.44072e-09% change)
large trace change predicted (3.16544e-08%)
linmin: converged after 7 iterations.
iteration 35: trace = 4.373721739652213 (3.16542e-08% change)
large trace change predicted (1.81437e-07%)
linmin: converged after 23 iterations.
iteration 36: trace = 4.373721731717386 (1.8142e-07% change)
large trace change predicted (7.42808e-07%)
linmin: converged after 5 iterations.
iteration 37: trace = 4.373721699261492 (7.42066e-07% change)
large trace change predicted (1.81171e-06%)
linmin: converged after 9 iterations.
iteration 38: trace = 4.373721620582588 (1.7989e-06% change)
large trace change predicted (3.98463e-06%)
linmin: converged after 7 iterations.
iteration 39: trace = 4.373721449998931 (3.90019e-06% change)
linmin: converged after 6 iterations.
iteration 40: trace = 4.373721352070095 (2.23903e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 4.373721289885363 (1.42178e-06% change)
linmin: converged after 4 iterations.
iteration 42: trace = 4.373721193459067 (2.20467e-06% change)
linmin: converged after 11 iterations.
iteration 43: trace = 4.3737211233754 (1.60238e-06% change)
linmin: converged after 7 iterations.
iteration 44: trace = 4.373721026076961 (2.22461e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 4.373720919620674 (2.434e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 4.373720871358169 (1.10347e-06% change)
linmin: converged after 7 iterations.
iteration 47: trace = 4.373720860408667 (2.50348e-07% change)
linmin: converged after 4 iterations.
iteration 48: trace = 4.373720857859263 (5.82891e-08% change)
linmin: converged after 13 iterations.
iteration 49: trace = 4.373720856571031 (2.94539e-08% change)
linmin: converged after 10 iterations.
iteration 50: trace = 4.37372085452145 (4.68613e-08% change)
linmin: converged after 3 iterations.
iteration 51: trace = 4.373720852664958 (4.24465e-08% change)
linmin: converged after 12 iterations.
iteration 52: trace = 4.373720851891077 (1.76939e-08% change)
linmin: converged after 4 iterations.
iteration 53: trace = 4.373720851693671 (4.51347e-09% change)
linmin: converged after 4 iterations.
iteration 54: trace = 4.373720851644961 (1.11369e-09% change)
linmin: converged after 4 iterations.
iteration 55: trace = 4.373720851632621 (2.82148e-10% change)
linmin: converged after 5 iterations.
iteration 56: trace = 4.373720851620797 (2.70329e-10% change)
linmin: converged after 18 iterations.
iteration 57: trace = 4.373720851605125 (3.5834e-10% change)
linmin: converged after 15 iterations.
iteration 58: trace = 4.373720851598586 (1.49501e-10% change)
linmin: converged after 4 iterations.
iteration 59: trace = 4.373720851594716 (8.84783e-11% change)
Finished solving for bands 2 to 8 after 59 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
elapsed time for k point: 0.4221816062927246
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0>
Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889%
Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635%
total elapsed time for run: 3.48861026763916
done
Fixing e-field (band 8) phase by 2.45827e-08 + -1i; max ampl. = 1.49941
.Outputting fields to /tmp/meepNmMUdV/test_output_efield_z-0-e.k16.b08.z.tm.h5...
/tmp/meepNmMUdV/test_output_efield_z-0: 3.50s
/tmp/meepNmMUdV/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: 0.007391691207885742
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.4694337844848633
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 2.037583827972412
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.22953224182128906
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.21238183975219727
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.2526412010192871
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.40070319175720215
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.6091735363006592
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.42769336700439453
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.2157740592956543
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.614647626876831
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.2506394386291504
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.16842317581176758
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.7054460048675537
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.3909482955932617
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.33698534965515137
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 1.076521873474121
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 8.40816593170166
done
epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill"
.Outputting /tmp/meepNmMUdV/test_output_field_to_file-0-epsilon.h5...
/tmp/meepNmMUdV/test_output_field_to_file-0: 8.43s
/tmp/meepNmMUdV/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: 0.004061222076416016
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.40833401679992676
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.4974946975708008
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.5751307010650635
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.41330742835998535
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.23911094665527344
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.3789100646972656
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.427487850189209
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.27251267433166504
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.22340679168701172
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.2190849781036377
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.20781254768371582
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.17391443252563477
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.191664457321167
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.2915384769439697
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.4982473850250244
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 1.1750588417053223
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 7.199263095855713
done
D-energy-components:, 16, 8, 0.499991, 0.500009, 0
B-energy-components:, 16, 8, 0, 0, 1
Outputting /tmp/meepNmMUdV/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/meepNmMUdV/test_output_tot_pwr-0: 7.21s
/tmp/meepNmMUdV/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: 0.10210609436035156
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50
Solving for bands 1 to 10...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 0.9773582023559152 (198.958% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.3161530410987914 (102.234% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.2757707805418229 (13.6444% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.2578977888964539 (6.69816% change)
linmin: converged after 6 iterations.
iteration 5: trace = 0.2538047517632827 (1.59977% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.2525216664485482 (0.506821% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.2513324422133415 (0.472051% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.2505245456115726 (0.321963% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.2503563741415015 (0.0671503% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.2503392642292775 (0.00683446% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.2503364696617221 (0.00111632% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.2503356979333104 (0.000308277% change)
linmin: converged after 8 iterations.
iteration 13: trace = 0.2503350629329604 (0.00025366% change)
linmin: converged after 5 iterations.
iteration 14: trace = 0.2503346861323353 (0.000150519% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.2503342765388485 (0.000163618% change)
large trace change predicted (0.000678429%)
linmin: converged after 4 iterations.
iteration 16: trace = 0.2503325842641583 (0.000676008% change)
large trace change predicted (0.00631306%)
linmin: converged after 6 iterations.
iteration 17: trace = 0.2503200648277941 (0.00500125% change)
linmin: converged after 6 iterations.
iteration 18: trace = 0.2503038592918309 (0.00647414% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.2502978020837006 (0.00241997% change)
linmin: converged after 6 iterations.
iteration 20: trace = 0.2502965572166734 (0.000497356% change)
linmin: converged after 3 iterations.
iteration 21: trace = 0.2502958707163532 (0.000274275% change)
linmin: converged after 5 iterations.
iteration 22: trace = 0.2502955615722228 (0.000123512% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.2502955228253181 (1.54805e-05% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.2502955176855963 (2.05346e-06% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.250295517062488 (2.48949e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 0.2502955167761253 (1.1441e-07% change)
linmin: converged after 4 iterations.
iteration 27: trace = 0.2502955164556169 (1.28052e-07% change)
linmin: converged after 7 iterations.
iteration 28: trace = 0.2502955162302593 (9.00366e-08% change)
linmin: converged after 2 iterations.
iteration 29: trace = 0.2502955158423229 (1.54991e-07% change)
large trace change predicted (7.06245e-07%)
linmin: converged after 4 iterations.
iteration 30: trace = 0.2502955140746271 (7.06243e-07% change)
large trace change predicted (1.92422e-06%)
linmin: converged after 6 iterations.
iteration 31: trace = 0.2502955092582567 (1.92427e-06% change)
linmin: converged after 9 iterations.
iteration 32: trace = 0.2502955074678324 (7.15324e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.2502955071409572 (1.30596e-07% change)
linmin: converged after 2 iterations.
iteration 34: trace = 0.2502955070820929 (2.35179e-08% change)
linmin: converged after 3 iterations.
iteration 35: trace = 0.2502955070452399 (1.47238e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 0.250295507031224 (5.59974e-09% change)
linmin: converged after 3 iterations.
iteration 37: trace = 0.2502955070289675 (9.01523e-10% change)
linmin: converged after 7 iterations.
iteration 38: trace = 0.2502955070287157 (1.00623e-10% change)
linmin: converged after 5 iterations.
iteration 39: trace = 0.2502955070286879 (1.10891e-11% change)
Finished solving for bands 1 to 10 after 39 iterations.
Solving for bands 11 to 20...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 2.764077233898725 (197.059% change)
linmin: converged after 9 iterations.
iteration 2: trace = 0.7088244642872523 (118.359% change)
linmin: converged after 14 iterations.
iteration 3: trace = 0.5830461806925314 (19.4723% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.5699441144512948 (2.27271% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.5601912966595823 (1.72596% change)
linmin: converged after 8 iterations.
iteration 6: trace = 0.5549770053260779 (0.935158% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.5536217793739742 (0.244493% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.5527881752849213 (0.150686% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.5525197783370126 (0.0485651% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.5524120846135634 (0.0194933% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.5523393402469584 (0.0131694% change)
linmin: converged after 6 iterations.
iteration 12: trace = 0.5523162607151277 (0.00417859% change)
linmin: converged after 6 iterations.
iteration 13: trace = 0.5523079347101146 (0.00150748% change)
linmin: converged after 6 iterations.
iteration 14: trace = 0.5523053045774295 (0.000476209% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.5523046348504931 (0.00012126% change)
linmin: converged after 7 iterations.
iteration 16: trace = 0.5523044939041413 (2.55197e-05% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.552304436370554 (1.0417e-05% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.5523044197504279 (3.00923e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.5523044169605478 (5.05134e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 0.5523044161634796 (1.44317e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 0.5523044158163841 (6.2845e-08% change)
linmin: converged after 7 iterations.
iteration 22: trace = 0.55230441569158 (2.2597e-08% change)
linmin: converged after 9 iterations.
iteration 23: trace = 0.5523044156388207 (9.55257e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 0.5523044156091991 (5.36328e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.5523044156003197 (1.60769e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.5523044155970738 (5.87712e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.5523044155956438 (2.58909e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 0.5523044155954007 (4.40226e-11% change)
Finished solving for bands 11 to 20 after 28 iterations.
Solving for bands 21 to 30...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 5.040666542909068 (194.661% change)
linmin: converged after 9 iterations.
iteration 2: trace = 1.78473693853849 (95.4062% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.523333415733299 (15.804% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.441532080400754 (5.51805% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.405219437353265 (2.55116% change)
linmin: converged after 5 iterations.
iteration 6: trace = 1.388014989122437 (1.23187% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.376962867796627 (0.799437% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.372681951039055 (0.31138% change)
linmin: converged after 5 iterations.
iteration 9: trace = 1.370878340769326 (0.13148% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.370189509053679 (0.0502601% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.369866377996372 (0.0235857% change)
linmin: converged after 5 iterations.
iteration 12: trace = 1.36962780390677 (0.0174174% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.369391088062188 (0.0172847% change)
linmin: converged after 5 iterations.
iteration 14: trace = 1.369169936341475 (0.0161509% change)
linmin: converged after 5 iterations.
iteration 15: trace = 1.369039043664265 (0.00956046% change)
linmin: converged after 4 iterations.
iteration 16: trace = 1.368967099875689 (0.0052552% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.368919763088875 (0.00345791% change)
linmin: converged after 4 iterations.
iteration 18: trace = 1.368881565082315 (0.00279041% change)
linmin: converged after 4 iterations.
iteration 19: trace = 1.368847148201917 (0.00251427% change)
linmin: converged after 4 iterations.
iteration 20: trace = 1.368816057033324 (0.00227137% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.368795335795347 (0.00151382% change)
linmin: converged after 4 iterations.
iteration 22: trace = 1.368783116278413 (0.000892725% change)
linmin: converged after 6 iterations.
iteration 23: trace = 1.368774313873091 (0.000643085% change)
linmin: converged after 4 iterations.
iteration 24: trace = 1.368767027164953 (0.000532354% change)
linmin: converged after 6 iterations.
iteration 25: trace = 1.368760736431406 (0.000459592% change)
linmin: converged after 6 iterations.
iteration 26: trace = 1.368755530414332 (0.000380346% change)
linmin: converged after 4 iterations.
iteration 27: trace = 1.368752119509268 (0.000249198% change)
linmin: converged after 9 iterations.
iteration 28: trace = 1.368749700077361 (0.000176762% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.368747854833705 (0.000134812% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.368746241521812 (0.000117868% change)
linmin: converged after 5 iterations.
iteration 31: trace = 1.368745103675602 (8.31306e-05% change)
linmin: converged after 5 iterations.
iteration 32: trace = 1.368744406366086 (5.09452e-05% change)
linmin: converged after 5 iterations.
iteration 33: trace = 1.368744106173446 (2.1932e-05% change)
linmin: converged after 5 iterations.
iteration 34: trace = 1.368743978090969 (9.35766e-06% change)
linmin: converged after 7 iterations.
iteration 35: trace = 1.368743922574735 (4.056e-06% change)
linmin: converged after 2 iterations.
iteration 36: trace = 1.368743896765814 (1.88559e-06% change)
linmin: converged after 18 iterations.
iteration 37: trace = 1.368743884092742 (9.25891e-07% change)
linmin: converged after 3 iterations.
iteration 38: trace = 1.36874387767489 (4.68886e-07% change)
linmin: converged after 2 iterations.
iteration 39: trace = 1.368743873565343 (3.00242e-07% change)
linmin: converged after 2 iterations.
iteration 40: trace = 1.368743870515612 (2.22812e-07% change)
linmin: converged after 4 iterations.
iteration 41: trace = 1.368743865625732 (3.57253e-07% change)
linmin: converged after 13 iterations.
iteration 42: trace = 1.368743856077915 (6.97561e-07% change)
linmin: converged after 4 iterations.
iteration 43: trace = 1.3687438374822 (1.3586e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 1.36874380410724 (2.43836e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 1.368743762213652 (3.06073e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 1.368743718469775 (3.19591e-06% change)
linmin: converged after 7 iterations.
iteration 47: trace = 1.368743667117277 (3.7518e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 1.368743567912476 (7.24787e-06% change)
linmin: converged after 6 iterations.
iteration 49: trace = 1.368743413514559 (1.12803e-05% change)
linmin: converged after 6 iterations.
iteration 50: trace = 1.368743170386393 (1.77629e-05% change)
linmin: converged after 6 iterations.
iteration 51: trace = 1.36874290964695 (1.90496e-05% change)
linmin: converged after 6 iterations.
iteration 52: trace = 1.368742678093777 (1.69172e-05% change)
linmin: converged after 6 iterations.
iteration 53: trace = 1.368742429369796 (1.81717e-05% change)
linmin: converged after 4 iterations.
iteration 54: trace = 1.368741979819385 (3.28441e-05% change)
large trace change predicted (7.746e-05%)
linmin: converged after 4 iterations.
iteration 55: trace = 1.368740938892184 (7.605e-05% change)
linmin: converged after 6 iterations.
iteration 56: trace = 1.368739090056015 (0.000135076% change)
linmin: converged after 7 iterations.
iteration 57: trace = 1.368737088931255 (0.000146202% change)
linmin: converged after 7 iterations.
iteration 58: trace = 1.368735675140507 (0.000103292% change)
linmin: converged after 8 iterations.
iteration 59: trace = 1.368734891368119 (5.72625e-05% change)
linmin: converged after 6 iterations.
iteration 60: trace = 1.368734383035294 (3.71389e-05% change)
linmin: converged after 6 iterations.
iteration 61: trace = 1.368733869786366 (3.74981e-05% change)
linmin: converged after 8 iterations.
iteration 62: trace = 1.36873322977382 (4.67595e-05% change)
linmin: converged after 6 iterations.
iteration 63: trace = 1.368732612876597 (4.50707e-05% change)
linmin: converged after 9 iterations.
iteration 64: trace = 1.368732103613244 (3.72069e-05% change)
linmin: converged after 6 iterations.
iteration 65: trace = 1.368731784347857 (2.33256e-05% change)
linmin: converged after 5 iterations.
iteration 66: trace = 1.368731593542914 (1.39403e-05% change)
linmin: converged after 4 iterations.
iteration 67: trace = 1.368731481630388 (8.17637e-06% change)
linmin: converged after 6 iterations.
iteration 68: trace = 1.36873140674677 (5.47102e-06% change)
linmin: converged after 5 iterations.
iteration 69: trace = 1.368731346615034 (4.39325e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 70: trace = 1.368731326392317 (1.47748e-06% change)
linmin: converged after 2 iterations.
iteration 71: trace = 1.368731305809781 (1.50377e-06% change)
linmin: converged after 4 iterations.
iteration 72: trace = 1.368731292682878 (9.59056e-07% change)
linmin: converged after 6 iterations.
iteration 73: trace = 1.36873127418859 (1.3512e-06% change)
linmin: converged after 2 iterations.
iteration 74: trace = 1.368731246832545 (1.99864e-06% change)
linmin: converged after 2 iterations.
iteration 75: trace = 1.368731222075328 (1.80877e-06% change)
linmin: converged after 4 iterations.
iteration 76: trace = 1.36873120936438 (9.28666e-07% change)
linmin: converged after 4 iterations.
iteration 77: trace = 1.36873120497952 (3.2036e-07% change)
linmin: converged after 6 iterations.
iteration 78: trace = 1.368731202163965 (2.05705e-07% change)
linmin: converged after 3 iterations.
iteration 79: trace = 1.36873119954496 (1.91345e-07% change)
linmin: converged after 2 iterations.
iteration 80: trace = 1.368731196863351 (1.95919e-07% change)
linmin: converged after 3 iterations.
iteration 81: trace = 1.368731195122205 (1.27209e-07% change)
linmin: converged after 2 iterations.
iteration 82: trace = 1.368731194395566 (5.30885e-08% change)
linmin: converged after 2 iterations.
iteration 83: trace = 1.368731194038993 (2.60514e-08% change)
linmin: converged after 2 iterations.
iteration 84: trace = 1.368731193799064 (1.75293e-08% change)
linmin: converged after 3 iterations.
iteration 85: trace = 1.368731193445163 (2.58561e-08% change)
linmin: converged after 2 iterations.
iteration 86: trace = 1.368731192939764 (3.69247e-08% change)
linmin: converged after 2 iterations.
iteration 87: trace = 1.368731192446014 (3.60736e-08% change)
linmin: converged after 2 iterations.
iteration 88: trace = 1.368731191974353 (3.44597e-08% change)
linmin: converged after 2 iterations.
iteration 89: trace = 1.36873119146021 (3.75635e-08% change)
linmin: converged after 3 iterations.
iteration 90: trace = 1.368731190770239 (5.04095e-08% change)
linmin: converged after 2 iterations.
iteration 91: trace = 1.36873118949346 (9.3282e-08% change)
linmin: converged after 4 iterations.
iteration 92: trace = 1.368731187986773 (1.10079e-07% change)
linmin: converged after 6 iterations.
iteration 93: trace = 1.36873118608853 (1.38686e-07% change)
linmin: converged after 4 iterations.
iteration 94: trace = 1.368731183025278 (2.23802e-07% change)
linmin: converged after 11 iterations.
iteration 95: trace = 1.368731177621037 (3.94836e-07% change)
large trace change predicted (9.62641e-07%)
linmin: converged after 16 iterations.
iteration 96: trace = 1.368731164445792 (9.62588e-07% change)
large trace change predicted (1.9722e-06%)
linmin: converged after 5 iterations.
iteration 97: trace = 1.368731137454421 (1.972e-06% change)
linmin: converged after 8 iterations.
iteration 98: trace = 1.368731113464183 (1.75274e-06% change)
linmin: converged after 5 iterations.
iteration 99: trace = 1.368731088552563 (1.82005e-06% change)
linmin: converged after 5 iterations.
iteration 100: trace = 1.368731069158598 (1.41693e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 1.368731058835224 (7.5423e-07% change)
linmin: converged after 12 iterations.
iteration 102: trace = 1.368731053232792 (4.09316e-07% change)
linmin: converged after 5 iterations.
iteration 103: trace = 1.368731050633556 (1.89901e-07% change)
linmin: converged after 4 iterations.
iteration 104: trace = 1.36873104971949 (6.6782e-08% change)
linmin: converged after 4 iterations.
iteration 105: trace = 1.368731049381487 (2.46946e-08% change)
linmin: converged after 13 iterations.
iteration 106: trace = 1.368731049212964 (1.23124e-08% change)
linmin: converged after 4 iterations.
iteration 107: trace = 1.368731049113038 (7.30065e-09% change)
linmin: converged after 6 iterations.
iteration 108: trace = 1.368731049042232 (5.17311e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 1.368731048990504 (3.77926e-09% change)
linmin: converged after 8 iterations.
iteration 110: trace = 1.368731048950158 (2.94771e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 1.368731048928328 (1.59488e-09% change)
linmin: converged after 4 iterations.
iteration 112: trace = 1.368731048916032 (8.98362e-10% change)
linmin: converged after 10 iterations.
iteration 113: trace = 1.368731048899377 (1.21681e-09% change)
linmin: converged after 3 iterations.
iteration 114: trace = 1.36873104886784 (2.30409e-09% change)
large trace change predicted (6.63168e-09%)
linmin: converged after 5 iterations.
iteration 115: trace = 1.368731048777066 (6.63202e-09% change)
large trace change predicted (2.5378e-08%)
linmin: converged after 4 iterations.
iteration 116: trace = 1.368731048429727 (2.53767e-08% change)
large trace change predicted (6.62261e-08%)
linmin: converged after 9 iterations.
iteration 117: trace = 1.36873104752323 (6.6229e-08% change)
linmin: converged after 4 iterations.
iteration 118: trace = 1.368731045912793 (1.17659e-07% change)
linmin: converged after 5 iterations.
iteration 119: trace = 1.368731044216875 (1.23904e-07% change)
linmin: converged after 4 iterations.
iteration 120: trace = 1.368731043121761 (8.00095e-08% change)
linmin: converged after 8 iterations.
iteration 121: trace = 1.368731041992775 (8.24841e-08% change)
large trace change predicted (1.95921e-07%)
linmin: converged after 6 iterations.
iteration 122: trace = 1.368731039311178 (1.95919e-07% change)
large trace change predicted (5.71931e-07%)
linmin: converged after 7 iterations.
iteration 123: trace = 1.368731031485267 (5.71764e-07% change)
large trace change predicted (1.36728e-06%)
linmin: converged after 5 iterations.
iteration 124: trace = 1.368731012784502 (1.36628e-06% change)
linmin: converged after 7 iterations.
iteration 125: trace = 1.368730990367488 (1.6378e-06% change)
linmin: converged after 6 iterations.
iteration 126: trace = 1.368730976295667 (1.02809e-06% change)
linmin: converged after 8 iterations.
iteration 127: trace = 1.368730969549118 (4.92905e-07% change)
linmin: converged after 4 iterations.
iteration 128: trace = 1.368730962810756 (4.92307e-07% change)
large trace change predicted (1.03834e-06%)
linmin: converged after 5 iterations.
iteration 129: trace = 1.36873094858594 (1.03927e-06% change)
linmin: converged after 5 iterations.
iteration 130: trace = 1.368730920081372 (2.08255e-06% change)
linmin: converged after 6 iterations.
iteration 131: trace = 1.368730882834771 (2.72125e-06% change)
linmin: converged after 5 iterations.
iteration 132: trace = 1.368730852396679 (2.22382e-06% change)
linmin: converged after 8 iterations.
iteration 133: trace = 1.368730837551955 (1.08456e-06% change)
linmin: converged after 5 iterations.
iteration 134: trace = 1.368730831452813 (4.45606e-07% change)
linmin: converged after 5 iterations.
iteration 135: trace = 1.368730827404748 (2.95753e-07% change)
linmin: converged after 5 iterations.
iteration 136: trace = 1.368730824204463 (2.33814e-07% change)
linmin: converged after 4 iterations.
iteration 137: trace = 1.368730822420989 (1.30301e-07% change)
linmin: converged after 6 iterations.
iteration 138: trace = 1.368730821966607 (3.31974e-08% change)
linmin: converged after 5 iterations.
iteration 139: trace = 1.368730821791054 (1.28259e-08% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 1.368730821728621 (4.56139e-09% change)
linmin: converged after 9 iterations.
iteration 141: trace = 1.368730821654303 (5.42966e-09% change)
linmin: converged after 13 iterations.
iteration 142: trace = 1.368730821507535 (1.07229e-08% change)
linmin: converged after 2 iterations.
iteration 143: trace = 1.368730821260757 (1.80297e-08% change)
linmin: converged after 8 iterations.
iteration 144: trace = 1.36873082097219 (2.10828e-08% change)
linmin: converged after 2 iterations.
iteration 145: trace = 1.368730820756622 (1.57495e-08% change)
linmin: converged after 9 iterations.
iteration 146: trace = 1.368730820641313 (8.42448e-09% change)
linmin: converged after 3 iterations.
iteration 147: trace = 1.368730820552402 (6.49585e-09% change)
linmin: converged after 3 iterations.
iteration 148: trace = 1.368730820416918 (9.89858e-09% change)
linmin: converged after 2 iterations.
iteration 149: trace = 1.368730820250079 (1.21893e-08% change)
linmin: converged after 2 iterations.
iteration 150: trace = 1.368730820107939 (1.03848e-08% change)
linmin: converged after 5 iterations.
iteration 151: trace = 1.368730819983391 (9.09955e-09% change)
linmin: converged after 3 iterations.
iteration 152: trace = 1.368730819761438 (1.62159e-08% change)
large trace change predicted (3.43357e-08%)
linmin: converged after 2 iterations.
iteration 153: trace = 1.368730819291474 (3.43358e-08% change)
linmin: converged after 2 iterations.
iteration 154: trace = 1.368730818410742 (6.43466e-08% change)
linmin: converged after 2 iterations.
iteration 155: trace = 1.368730816945762 (1.07032e-07% change)
linmin: converged after 4 iterations.
iteration 156: trace = 1.368730815482099 (1.06936e-07% change)
linmin: converged after 4 iterations.
iteration 157: trace = 1.368730813979739 (1.09763e-07% change)
linmin: converged after 4 iterations.
iteration 158: trace = 1.368730811453384 (1.84576e-07% change)
linmin: converged after 4 iterations.
iteration 159: trace = 1.3687308066838 (3.48468e-07% change)
linmin: converged after 5 iterations.
iteration 160: trace = 1.368730800936166 (4.19924e-07% change)
linmin: converged after 7 iterations.
iteration 161: trace = 1.368730796569594 (3.19023e-07% change)
linmin: converged after 4 iterations.
iteration 162: trace = 1.368730793701978 (2.09509e-07% change)
linmin: converged after 4 iterations.
iteration 163: trace = 1.368730792007114 (1.23827e-07% change)
linmin: converged after 14 iterations.
iteration 164: trace = 1.368730790449825 (1.13776e-07% change)
linmin: converged after 4 iterations.
iteration 165: trace = 1.36873078877671 (1.22238e-07% change)
linmin: converged after 5 iterations.
iteration 166: trace = 1.368730787185916 (1.16224e-07% change)
linmin: converged after 16 iterations.
iteration 167: trace = 1.368730786126542 (7.73983e-08% change)
linmin: converged after 6 iterations.
iteration 168: trace = 1.368730785641953 (3.54042e-08% change)
linmin: converged after 5 iterations.
iteration 169: trace = 1.368730785492087 (1.09493e-08% change)
linmin: converged after 5 iterations.
iteration 170: trace = 1.368730785444299 (3.49139e-09% change)
linmin: converged after 7 iterations.
iteration 171: trace = 1.368730785431242 (9.5399e-10% change)
linmin: converged after 3 iterations.
iteration 172: trace = 1.368730785427647 (2.62645e-10% change)
linmin: converged after 4 iterations.
iteration 173: trace = 1.368730785426458 (8.68561e-11% change)
Finished solving for bands 21 to 30 after 173 iterations.
Solving for bands 31 to 40...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 7.230107118482454 (192.441% change)
linmin: converged after 10 iterations.
iteration 2: trace = 2.817364234098258 (87.8379% change)
linmin: converged after 6 iterations.
iteration 3: trace = 2.383772500907462 (16.673% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.264181972599633 (5.14594% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.205266184760897 (2.63638% change)
linmin: converged after 8 iterations.
iteration 6: trace = 2.183248746384178 (1.00341% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.173760379118843 (0.435545% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.167774130834347 (0.275766% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.163580412369534 (0.193645% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.159739063083734 (0.177704% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.15702209820651 (0.12588% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.155362899544596 (0.0769504% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.15417469574553 (0.055143% change)
linmin: converged after 5 iterations.
iteration 14: trace = 2.153097710199354 (0.0500078% change)
linmin: converged after 5 iterations.
iteration 15: trace = 2.152356410752688 (0.0344354% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.151804496012086 (0.0256456% change)
linmin: converged after 5 iterations.
iteration 17: trace = 2.151338213212585 (0.0216717% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.151061655416886 (0.012856% change)
linmin: converged after 5 iterations.
iteration 19: trace = 2.150823285355221 (0.0110821% change)
linmin: converged after 5 iterations.
iteration 20: trace = 2.150656547787729 (0.00775257% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.150547249174877 (0.00508223% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.150480112751344 (0.00312188% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.150447078138263 (0.00153616% change)
linmin: converged after 5 iterations.
iteration 24: trace = 2.150426792532505 (0.000943325% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.150415528122167 (0.000523823% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.150409798893981 (0.000266425% change)
linmin: converged after 6 iterations.
iteration 27: trace = 2.150405289612916 (0.000209694% change)
linmin: converged after 5 iterations.
iteration 28: trace = 2.150402141190802 (0.000146411% change)
linmin: converged after 5 iterations.
iteration 29: trace = 2.150399522462351 (0.000121779% change)
linmin: converged after 8 iterations.
iteration 30: trace = 2.150396650386881 (0.00013356% change)
linmin: converged after 5 iterations.
iteration 31: trace = 2.150393099657709 (0.00016512% change)
linmin: converged after 6 iterations.
iteration 32: trace = 2.150387655108673 (0.000253189% change)
linmin: converged after 5 iterations.
iteration 33: trace = 2.1503807915581 (0.000319178% change)
linmin: converged after 5 iterations.
iteration 34: trace = 2.15037377975487 (0.000326073% change)
linmin: converged after 5 iterations.
iteration 35: trace = 2.150366764596702 (0.00032623% change)
linmin: converged after 6 iterations.
iteration 36: trace = 2.150359397061859 (0.000342618% change)
linmin: converged after 6 iterations.
iteration 37: trace = 2.150351903689407 (0.000348471% change)
linmin: converged after 11 iterations.
iteration 38: trace = 2.150343144579903 (0.000407335% change)
linmin: converged after 5 iterations.
iteration 39: trace = 2.15033524451654 (0.000367387% change)
linmin: converged after 4 iterations.
iteration 40: trace = 2.150328828221297 (0.000298386% change)
linmin: converged after 5 iterations.
iteration 41: trace = 2.150323123441815 (0.000265298% change)
linmin: converged after 3 iterations.
iteration 42: trace = 2.150319840871659 (0.000152655% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.150317369711702 (0.000114921% change)
linmin: converged after 6 iterations.
iteration 44: trace = 2.15031548574945 (8.76133e-05% change)
linmin: converged after 3 iterations.
iteration 45: trace = 2.150314485103042 (4.65349e-05% change)
linmin: converged after 7 iterations.
iteration 46: trace = 2.150313850325226 (2.95202e-05% change)
linmin: converged after 5 iterations.
iteration 47: trace = 2.150313567748621 (1.31412e-05% change)
linmin: converged after 7 iterations.
iteration 48: trace = 2.150313402389803 (7.68999e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 2.150313290594153 (5.19904e-06% change)
linmin: converged after 6 iterations.
iteration 50: trace = 2.150313233311027 (2.66394e-06% change)
linmin: converged after 8 iterations.
iteration 51: trace = 2.150313205104588 (1.31174e-06% change)
linmin: converged after 2 iterations.
iteration 52: trace = 2.150313191064193 (6.52947e-07% change)
linmin: converged after 2 iterations.
iteration 53: trace = 2.150313183156648 (3.67739e-07% change)
linmin: converged after 2 iterations.
iteration 54: trace = 2.150313178006798 (2.39493e-07% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.15031317468481 (1.54489e-07% change)
linmin: converged after 4 iterations.
iteration 56: trace = 2.150313172987311 (7.89419e-08% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.150313171840801 (5.33183e-08% change)
linmin: converged after 2 iterations.
iteration 58: trace = 2.150313171039609 (3.72593e-08% change)
linmin: converged after 4 iterations.
iteration 59: trace = 2.150313170619346 (1.95442e-08% change)
linmin: converged after 3 iterations.
iteration 60: trace = 2.150313170310902 (1.43442e-08% change)
linmin: converged after 2 iterations.
iteration 61: trace = 2.150313170079691 (1.07524e-08% change)
linmin: converged after 2 iterations.
iteration 62: trace = 2.15031316987761 (9.39775e-09% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.150313169681972 (9.09815e-09% change)
linmin: converged after 6 iterations.
iteration 64: trace = 2.150313169527739 (7.17259e-09% change)
linmin: converged after 3 iterations.
iteration 65: trace = 2.15031316935002 (8.26478e-09% change)
linmin: converged after 2 iterations.
iteration 66: trace = 2.150313169165146 (8.59755e-09% change)
linmin: converged after 5 iterations.
iteration 67: trace = 2.150313168972199 (8.97295e-09% change)
linmin: converged after 4 iterations.
iteration 68: trace = 2.150313168727388 (1.13849e-08% change)
linmin: converged after 3 iterations.
iteration 69: trace = 2.150313168488697 (1.11003e-08% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 70: trace = 2.15031316838449 (4.84615e-09% change)
linmin: converged after 3 iterations.
iteration 71: trace = 2.150313168200631 (8.55034e-09% change)
linmin: converged after 3 iterations.
iteration 72: trace = 2.150313168068283 (6.15482e-09% change)
linmin: converged after 2 iterations.
iteration 73: trace = 2.150313167955831 (5.22958e-09% change)
linmin: converged after 4 iterations.
iteration 74: trace = 2.150313167849667 (4.93712e-09% change)
linmin: converged after 2 iterations.
iteration 75: trace = 2.150313167775666 (3.44142e-09% change)
linmin: converged after 3 iterations.
iteration 76: trace = 2.15031316769171 (3.90438e-09% change)
linmin: converged after 2 iterations.
iteration 77: trace = 2.150313167607504 (3.91597e-09% change)
linmin: converged after 2 iterations.
iteration 78: trace = 2.150313167538014 (3.23163e-09% change)
linmin: converged after 2 iterations.
iteration 79: trace = 2.150313167462598 (3.50719e-09% change)
linmin: converged after 2 iterations.
iteration 80: trace = 2.150313167392543 (3.25792e-09% change)
linmin: converged after 2 iterations.
iteration 81: trace = 2.15031316730351 (4.14044e-09% change)
linmin: converged after 3 iterations.
iteration 82: trace = 2.150313167175226 (5.96583e-09% change)
linmin: converged after 4 iterations.
iteration 83: trace = 2.150313167058024 (5.45049e-09% change)
linmin: converged after 6 iterations.
iteration 84: trace = 2.150313166920506 (6.39525e-09% change)
linmin: converged after 2 iterations.
iteration 85: trace = 2.150313166761667 (7.38677e-09% change)
linmin: converged after 3 iterations.
iteration 86: trace = 2.150313166661037 (4.67979e-09% change)
linmin: converged after 2 iterations.
iteration 87: trace = 2.150313166582903 (3.63359e-09% change)
linmin: converged after 7 iterations.
iteration 88: trace = 2.150313166516761 (3.07593e-09% change)
linmin: converged after 2 iterations.
iteration 89: trace = 2.150313166476429 (1.87564e-09% change)
linmin: converged after 4 iterations.
iteration 90: trace = 2.15031316645396 (1.0449e-09% change)
linmin: converged after 4 iterations.
iteration 91: trace = 2.150313166443228 (4.99104e-10% change)
linmin: converged after 6 iterations.
iteration 92: trace = 2.150313166437209 (2.79901e-10% change)
linmin: converged after 4 iterations.
iteration 93: trace = 2.150313166432872 (2.0169e-10% change)
linmin: converged after 3 iterations.
iteration 94: trace = 2.150313166430776 (9.74995e-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 8 iterations.
iteration 1: trace = 8.545615064955346 (191.103% change)
linmin: converged after 8 iterations.
iteration 2: trace = 3.261177021002489 (89.5152% change)
linmin: converged after 6 iterations.
iteration 3: trace = 2.735430573230346 (17.5348% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.599623175194042 (5.09114% change)
linmin: converged after 6 iterations.
iteration 5: trace = 2.527777768746663 (2.80241% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.486971986915944 (1.62743% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.468814644289866 (0.732773% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.458530008775574 (0.417451% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.452010604897636 (0.265527% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.446951935982947 (0.20652% change)
linmin: converged after 5 iterations.
iteration 11: trace = 2.443000264868221 (0.161624% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.440801958887805 (0.0900244% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.439651917262315 (0.0471285% change)
linmin: converged after 5 iterations.
iteration 14: trace = 2.438794386057058 (0.0351559% change)
linmin: converged after 5 iterations.
iteration 15: trace = 2.43802281526741 (0.0316424% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.437314214189137 (0.0290688% change)
linmin: converged after 5 iterations.
iteration 17: trace = 2.436427434798389 (0.0363901% change)
linmin: converged after 5 iterations.
iteration 18: trace = 2.435606064887636 (0.0337177% change)
linmin: converged after 5 iterations.
iteration 19: trace = 2.435080522321182 (0.0215798% change)
linmin: converged after 5 iterations.
iteration 20: trace = 2.434730903995121 (0.0143586% change)
linmin: converged after 5 iterations.
iteration 21: trace = 2.434515489424045 (0.00884796% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.434390156492517 (0.0051483% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.434289942129963 (0.0041167% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.434215166718979 (0.0030718% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.43415114846057 (0.00262997% change)
linmin: converged after 5 iterations.
iteration 26: trace = 2.434099388359106 (0.00212644% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.434069520682713 (0.00122706% change)
linmin: converged after 6 iterations.
iteration 28: trace = 2.434051894177385 (0.00072416% change)
linmin: converged after 6 iterations.
iteration 29: trace = 2.434040920659748 (0.000450834% change)
linmin: converged after 6 iterations.
iteration 30: trace = 2.434034872115986 (0.000248498% change)
linmin: converged after 5 iterations.
iteration 31: trace = 2.434031134496804 (0.000153557% change)
linmin: converged after 5 iterations.
iteration 32: trace = 2.434028967612147 (8.90246e-05% change)
linmin: converged after 5 iterations.
iteration 33: trace = 2.434027725302595 (5.10392e-05% change)
linmin: converged after 6 iterations.
iteration 34: trace = 2.434026886520718 (3.44607e-05% change)
linmin: converged after 5 iterations.
iteration 35: trace = 2.43402613865067 (3.07256e-05% change)
linmin: converged after 5 iterations.
iteration 36: trace = 2.4340254509205 (2.82548e-05% change)
linmin: converged after 5 iterations.
iteration 37: trace = 2.434024951043304 (2.05371e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 2.434024674066363 (1.13794e-05% change)
linmin: converged after 5 iterations.
iteration 39: trace = 2.434024546234761 (5.25186e-06% change)
linmin: converged after 4 iterations.
iteration 40: trace = 2.434024472707927 (3.02079e-06% change)
linmin: converged after 7 iterations.
iteration 41: trace = 2.434024422642368 (2.0569e-06% change)
linmin: converged after 5 iterations.
iteration 42: trace = 2.434024388298618 (1.41099e-06% change)
linmin: converged after 7 iterations.
iteration 43: trace = 2.434024363245329 (1.02929e-06% change)
linmin: converged after 2 iterations.
iteration 44: trace = 2.434024345052931 (7.47421e-07% change)
linmin: converged after 3 iterations.
iteration 45: trace = 2.434024334362956 (4.39189e-07% change)
linmin: converged after 7 iterations.
iteration 46: trace = 2.434024326948149 (3.04632e-07% change)
linmin: converged after 2 iterations.
iteration 47: trace = 2.434024320899215 (2.48516e-07% change)
linmin: converged after 2 iterations.
iteration 48: trace = 2.434024317216479 (1.51302e-07% change)
linmin: converged after 2 iterations.
iteration 49: trace = 2.434024315166997 (8.42014e-08% change)
linmin: converged after 2 iterations.
iteration 50: trace = 2.434024314138602 (4.22508e-08% change)
linmin: converged after 2 iterations.
iteration 51: trace = 2.434024313589948 (2.2541e-08% change)
linmin: converged after 2 iterations.
iteration 52: trace = 2.434024313234822 (1.45901e-08% change)
linmin: converged after 2 iterations.
iteration 53: trace = 2.434024312971753 (1.0808e-08% change)
linmin: converged after 2 iterations.
iteration 54: trace = 2.434024312719689 (1.03559e-08% change)
linmin: converged after 4 iterations.
iteration 55: trace = 2.434024312512236 (8.52303e-09% change)
linmin: converged after 4 iterations.
iteration 56: trace = 2.434024312381283 (5.38009e-09% change)
linmin: converged after 3 iterations.
iteration 57: trace = 2.434024312305164 (3.12729e-09% change)
linmin: converged after 4 iterations.
iteration 58: trace = 2.434024312262389 (1.7574e-09% change)
linmin: converged after 6 iterations.
iteration 59: trace = 2.434024312237017 (1.0424e-09% change)
linmin: converged after 5 iterations.
iteration 60: trace = 2.434024312222584 (5.92946e-10% change)
linmin: converged after 4 iterations.
iteration 61: trace = 2.434024312214287 (3.40891e-10% change)
linmin: converged after 3 iterations.
iteration 62: trace = 2.434024312207971 (2.59463e-10% change)
linmin: converged after 6 iterations.
iteration 63: trace = 2.434024312203509 (1.83326e-10% change)
linmin: converged after 3 iterations.
iteration 64: trace = 2.434024312200225 (1.34922e-10% change)
linmin: converged after 3 iterations.
iteration 65: trace = 2.434024312197838 (9.80672e-11% change)
Finished solving for bands 41 to 50 after 65 iterations.
Finished k-point with 79.8 mean iterations/band.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273
elapsed time for k point: 100.2739486694336
total elapsed time for run: 100.37641787528992
done
Fixing e-field (band 25) phase by -0.243926 + -0.969794i; max ampl. = 0.816569
Outputting fields to /tmp/meepNmMUdV/test_point_defect_state-0-e.k01.b25.z.tm.h5...
Fixing d-field (band 25) phase by -1 + -3.2103e-07i; max ampl. = 3.30563
D-energy-components:, 1, 25, 0, 0, 1
Initializing eigensolver data
Computing 1 bands with 1e-08 tolerance
Target frequency is 0.3493
Working in 2 dimensions.
Grid size is 80 x 80 x 1.
Solving for 1 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(5, 0, 0)
(0, 5, 0)
(0, 0, 1)
Cell volume = 25
Reciprocal lattice vectors (/ 2 pi):
(0.2, -0, 0)
(-0, 0.2, -0)
(0, -0, 1)
Geometric objects:
cylinder, center = (2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-1,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-1,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (-2,-2,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects)
Initializing epsilon function...
Allocating fields...
Solving for band polarization: tm.
Initializing fields to random numbers...
1 k-points
Vector3<0.5, 0.5, 0.0>
elapsed time for initialization: 0.024844884872436523
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396094212364524 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01328122170995288 (4.99021% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.01312125250457405 (1.21177% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 4: trace = 0.01191112086796818 (9.66853% change)
linmin: converged after 9 iterations.
iteration 5: trace = 0.01100301626904427 (7.92615% change)
linmin: converged after 7 iterations.
iteration 6: trace = 0.01029304179229986 (6.66766% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.01015314587005606 (1.36843% change)
large trace change predicted (3.83569%)
linmin: converged after 8 iterations.
iteration 8: trace = 0.009161074288811468 (10.273% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008800132154459401 (4.01913% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.008721130034245163 (0.901786% change)
large trace change predicted (5.14951%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007755074076753708 (11.7267% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.007567651728526609 (2.44633% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.007444327272549105 (1.64301% change)
large trace change predicted (3.47332%)
linmin: converged after 6 iterations.
iteration 14: trace = 0.006982846078502427 (6.39739% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.006885117071751302 (1.40942% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.006706744039794545 (2.6247% change)
large trace change predicted (6.61768%)
linmin: converged after 6 iterations.
iteration 17: trace = 0.005943992981427055 (12.0586% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.005764799996424932 (3.06083% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.005733187534217772 (0.549878% change)
large trace change predicted (3.92338%)
linmin: converged after 5 iterations.
iteration 20: trace = 0.005437578157400684 (5.29255% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.005065994946991959 (7.07537% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.004980329229171359 (1.70541% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.004799389220625037 (3.70031% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.004290565543765488 (11.1953% change)
linmin: converged after 5 iterations.
iteration 25: trace = 0.004129783450624604 (3.81889% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.004098164718433416 (0.768569% change)
large trace change predicted (2.30942%)
linmin: converged after 4 iterations.
iteration 27: trace = 0.003988836559016622 (2.7038% change)
large trace change predicted (5.91726%)
linmin: converged after 6 iterations.
iteration 28: trace = 0.003638194880055023 (9.19471% change)
linmin: converged after 5 iterations.
iteration 29: trace = 0.003465126409742107 (4.87289% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.003391039548972224 (2.16117% change)
large trace change predicted (5.05382%)
linmin: converged after 5 iterations.
iteration 31: trace = 0.003180940874466725 (6.39377% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.00287790019864879 (10.0033% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.00279005197924929 (3.09982% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.002766730318326212 (0.839394% change)
large trace change predicted (1.83716%)
linmin: converged after 3 iterations.
iteration 35: trace = 0.002712677837753724 (1.97293% change)
large trace change predicted (6.51997%)
linmin: converged after 5 iterations.
iteration 36: trace = 0.00248945876162997 (8.58182% change)
linmin: converged after 5 iterations.
iteration 37: trace = 0.002278426024097082 (8.85226% change)
linmin: converged after 4 iterations.
iteration 38: trace = 0.002210940783491591 (3.00645% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.002159482755466235 (2.35483% change)
large trace change predicted (5.04213%)
linmin: converged after 4 iterations.
iteration 40: trace = 0.002034811873448058 (5.94478% change)
linmin: converged after 4 iterations.
iteration 41: trace = 0.001904048306585877 (6.63967% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.001858320503230887 (2.4308% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001833707939607964 (1.33328% change)
large trace change predicted (2.94396%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001775450543014121 (3.22831% change)
linmin: converged after 5 iterations.
iteration 45: trace = 0.001644503966194583 (7.6578% change)
linmin: converged after 4 iterations.
iteration 46: trace = 0.001555689301895505 (5.55058% change)
linmin: converged after 3 iterations.
iteration 47: trace = 0.001524235618396352 (2.0425% change)
linmin: converged after 3 iterations.
iteration 48: trace = 0.001497778457371729 (1.75096% change)
large trace change predicted (4.11787%)
linmin: converged after 4 iterations.
iteration 49: trace = 0.001431456497929135 (4.52828% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.001319832847932791 (8.11428% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.001256207648412414 (4.93977% change)
linmin: converged after 3 iterations.
iteration 52: trace = 0.00123039178973218 (2.0764% change)
linmin: converged after 3 iterations.
iteration 53: trace = 0.001203986365268907 (2.16938% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.001152486943981002 (4.37089% change)
linmin: converged after 3 iterations.
iteration 55: trace = 0.001100112375152226 (4.65015% change)
linmin: converged after 3 iterations.
iteration 56: trace = 0.001077292854382175 (2.09603% change)
linmin: converged after 4 iterations.
iteration 57: trace = 0.001065332548683566 (1.11642% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.00104513236917925 (1.91429% change)
large trace change predicted (5.01463%)
linmin: converged after 3 iterations.
iteration 59: trace = 0.0009893701135198292 (5.48166% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0009134884190754299 (7.97555% change)
linmin: converged after 3 iterations.
iteration 61: trace = 0.0008747574426590694 (4.33173% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.000858354469847563 (1.89289% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0008424113301520909 (1.87482% change)
linmin: converged after 3 iterations.
iteration 64: trace = 0.0008152380191264975 (3.27854% change)
linmin: converged after 3 iterations.
iteration 65: trace = 0.0007878477209784779 (3.4172% change)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0007745627297707618 (1.70058% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0007672194415439325 (0.952571% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0007562123534745165 (1.44504% change)
large trace change predicted (3.45965%)
linmin: converged after 3 iterations.
iteration 69: trace = 0.0007292232463818413 (3.63383% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0007201718788796592 (1.24899% change)
large trace change predicted (5.3862%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006820040470914168 (5.44409% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006742704060955676 (1.14042% change)
large trace change predicted (28.309%)
linmin: converged after 4 iterations.
iteration 73: trace = 0.0005003027005612641 (29.6223% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0004903658384017742 (2.00609% change)
large trace change predicted (6.19981%)
linmin: converged after 4 iterations.
iteration 75: trace = 0.0004599272329149532 (6.40615% change)
linmin: converged after 3 iterations.
iteration 76: trace = 0.0004555356683804523 (0.959419% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.0004549395883227713 (0.130938% change)
large trace change predicted (0.67778%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0004518602134421152 (0.679174% change)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0004469389689295624 (1.09507% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0004430305347444902 (0.87833% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.000442607425356213 (0.0955491% change)
large trace change predicted (1.38401%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0004365008052143807 (1.38928% change)
linmin: converged after 2 iterations.
iteration 83: trace = 0.0004357919435499626 (0.162528% change)
large trace change predicted (0.763752%)
linmin: converged after 4 iterations.
iteration 84: trace = 0.0004324623297514571 (0.766967% change)
linmin: converged after 2 iterations.
iteration 85: trace = 0.0004322890730010333 (0.0400709% change)
large trace change predicted (1.24372%)
linmin: converged after 4 iterations.
iteration 86: trace = 0.0004268775609671831 (1.25971% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.000426488620218934 (0.0911545% change)
large trace change predicted (0.708716%)
linmin: converged after 4 iterations.
iteration 88: trace = 0.0004234535788968159 (0.714176% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0004232426024739935 (0.0498352% change)
large trace change predicted (0.349643%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0004217579218232346 (0.351403% change)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0004207658759738886 (0.235494% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.000419643806578354 (0.267029% change)
linmin: converged after 4 iterations.
iteration 93: trace = 0.0004186306125287615 (0.241733% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0004184953846838694 (0.0323076% change)
large trace change predicted (0.125504%)
linmin: converged after 4 iterations.
iteration 95: trace = 0.0004179692102346542 (0.125809% change)
linmin: converged after 4 iterations.
iteration 96: trace = 0.0004174146485233506 (0.132768% change)
linmin: converged after 4 iterations.
iteration 97: trace = 0.0004169210653863518 (0.118318% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.000416895351652614 (0.00616772% change)
large trace change predicted (0.194111%)
linmin: converged after 4 iterations.
iteration 99: trace = 0.0004160835439875391 (0.194917% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0004159547361826709 (0.030962% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0004157198047668428 (0.056496% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0004156861673653842 (0.00809169% change)
large trace change predicted (0.161367%)
linmin: converged after 3 iterations.
iteration 103: trace = 0.0004150157701166503 (0.161405% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0004149907929756055 (0.00601854% change)
large trace change predicted (0.0549512%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0004147628363877637 (0.0549456% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.00041473941894106 (0.00564614% change)
large trace change predicted (0.0338928%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.000414598893949622 (0.0338885% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0004145923269926535 (0.00158394% change)
large trace change predicted (0.0368808%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0004144394960417982 (0.0368697% change)
linmin: converged after 3 iterations.
iteration 110: trace = 0.0004143662526703229 (0.0176744% change)
linmin: converged after 3 iterations.
iteration 111: trace = 0.0004143003725873108 (0.0159003% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0004142972990297597 (0.00074187% change)
large trace change predicted (0.0409684%)
linmin: converged after 3 iterations.
iteration 113: trace = 0.000414127940130185 (0.0408869% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0004141257884175342 (0.000519578% change)
large trace change predicted (0.00468265%)
linmin: converged after 3 iterations.
iteration 115: trace = 0.0004141063987730488 (0.00468218% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0004141042374139382 (0.000521935% change)
large trace change predicted (0.0181301%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0004140291493707971 (0.0181343% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0004140277758762924 (0.000331739% change)
large trace change predicted (0.00913413%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0004139899444001971 (0.00913784% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0004139873451098017 (0.000627865% change)
large trace change predicted (0.00364927%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0004139722345276518 (0.00365008% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0004139689704135331 (0.000788489% change)
large trace change predicted (0.00587122%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0004139446555861704 (0.00587376% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0004139442371920818 (0.000101075% change)
large trace change predicted (0.000893311%)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0004139405390532763 (0.000893395% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0004139381541982404 (0.000576136% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0004139350539611409 (0.000748964% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change)
large trace change predicted (0.000511258%)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0004139328107957864 (0.000511318% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0004139318232555436 (0.000238575% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0004139304983430069 (0.00032008% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.000413930426336523 (1.73958e-05% change)
large trace change predicted (0.000339426%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.000413929021229246 (0.000339456% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.000413928869425541 (3.66739e-05% change)
large trace change predicted (0.000224736%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0004139279391458814 (0.000224744% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0004139270056164055 (0.00022553% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0004139264559420506 (0.000132795% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change)
large trace change predicted (7.61595e-05%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change)
linmin: converged after 2 iterations.
iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change)
large trace change predicted (7.23448e-05%)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change)
linmin: converged after 2 iterations.
iteration 143: trace = 0.0004139249894461562 (0.000133906% change)
linmin: converged after 2 iterations.
iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change)
large trace change predicted (7.06562e-05%)
linmin: converged after 2 iterations.
iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change)
linmin: converged after 2 iterations.
iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change)
linmin: converged after 2 iterations.
iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change)
linmin: converged after 2 iterations.
iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change)
large trace change predicted (4.81328e-05%)
linmin: converged after 2 iterations.
iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change)
linmin: converged after 2 iterations.
iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change)
linmin: converged after 2 iterations.
iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change)
linmin: converged after 2 iterations.
iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change)
large trace change predicted (2.76653e-05%)
linmin: converged after 2 iterations.
iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change)
linmin: converged after 2 iterations.
iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change)
linmin: converged after 2 iterations.
iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change)
linmin: converged after 2 iterations.
iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change)
large trace change predicted (1.2381e-05%)
linmin: converged after 2 iterations.
iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change)
linmin: converged after 2 iterations.
iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change)
linmin: converged after 2 iterations.
iteration 159: trace = 0.0004139236165391871 (6.13013e-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: 2.555441379547119
total elapsed time for run: 2.5804591178894043
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: 0.024846315383911133
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396094212364524 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01328122170995288 (4.99021% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.01312125250457405 (1.21177% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 4: trace = 0.01191112086796818 (9.66853% change)
linmin: converged after 9 iterations.
iteration 5: trace = 0.01100301626904427 (7.92615% change)
linmin: converged after 7 iterations.
iteration 6: trace = 0.01029304179229986 (6.66766% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.01015314587005606 (1.36843% change)
large trace change predicted (3.83569%)
linmin: converged after 8 iterations.
iteration 8: trace = 0.009161074288811468 (10.273% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008800132154459401 (4.01913% change)
linmin: converged after 3 iterations.
iteration 10: trace = 0.008721130034245163 (0.901786% change)
large trace change predicted (5.14951%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007755074076753708 (11.7267% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.007567651728526609 (2.44633% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.007444327272549105 (1.64301% change)
large trace change predicted (3.47332%)
linmin: converged after 6 iterations.
iteration 14: trace = 0.006982846078502427 (6.39739% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.006885117071751302 (1.40942% change)
linmin: converged after 4 iterations.
iteration 16: trace = 0.006706744039794545 (2.6247% change)
large trace change predicted (6.61768%)
linmin: converged after 6 iterations.
iteration 17: trace = 0.005943992981427055 (12.0586% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.005764799996424932 (3.06083% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.005733187534217772 (0.549878% change)
large trace change predicted (3.92338%)
linmin: converged after 5 iterations.
iteration 20: trace = 0.005437578157400684 (5.29255% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.005065994946991959 (7.07537% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.004980329229171359 (1.70541% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.004799389220625037 (3.70031% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.004290565543765488 (11.1953% change)
linmin: converged after 5 iterations.
iteration 25: trace = 0.004129783450624604 (3.81889% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.004098164718433416 (0.768569% change)
large trace change predicted (2.30942%)
linmin: converged after 4 iterations.
iteration 27: trace = 0.003988836559016622 (2.7038% change)
large trace change predicted (5.91726%)
linmin: converged after 6 iterations.
iteration 28: trace = 0.003638194880055023 (9.19471% change)
linmin: converged after 5 iterations.
iteration 29: trace = 0.003465126409742107 (4.87289% change)
linmin: converged after 4 iterations.
iteration 30: trace = 0.003391039548972224 (2.16117% change)
large trace change predicted (5.05382%)
linmin: converged after 5 iterations.
iteration 31: trace = 0.003180940874466725 (6.39377% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.00287790019864879 (10.0033% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.00279005197924929 (3.09982% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.002766730318326212 (0.839394% change)
large trace change predicted (1.83716%)
linmin: converged after 3 iterations.
iteration 35: trace = 0.002712677837753724 (1.97293% change)
large trace change predicted (6.51997%)
linmin: converged after 5 iterations.
iteration 36: trace = 0.00248945876162997 (8.58182% change)
linmin: converged after 5 iterations.
iteration 37: trace = 0.002278426024097082 (8.85226% change)
linmin: converged after 4 iterations.
iteration 38: trace = 0.002210940783491591 (3.00645% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.002159482755466235 (2.35483% change)
large trace change predicted (5.04213%)
linmin: converged after 4 iterations.
iteration 40: trace = 0.002034811873448058 (5.94478% change)
linmin: converged after 4 iterations.
iteration 41: trace = 0.001904048306585877 (6.63967% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.001858320503230887 (2.4308% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001833707939607964 (1.33328% change)
large trace change predicted (2.94396%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001775450543014121 (3.22831% change)
linmin: converged after 5 iterations.
iteration 45: trace = 0.001644503966194583 (7.6578% change)
linmin: converged after 4 iterations.
iteration 46: trace = 0.001555689301895505 (5.55058% change)
linmin: converged after 3 iterations.
iteration 47: trace = 0.001524235618396352 (2.0425% change)
linmin: converged after 3 iterations.
iteration 48: trace = 0.001497778457371729 (1.75096% change)
large trace change predicted (4.11787%)
linmin: converged after 4 iterations.
iteration 49: trace = 0.001431456497929135 (4.52828% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.001319832847932791 (8.11428% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.001256207648412414 (4.93977% change)
linmin: converged after 3 iterations.
iteration 52: trace = 0.00123039178973218 (2.0764% change)
linmin: converged after 3 iterations.
iteration 53: trace = 0.001203986365268907 (2.16938% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.001152486943981002 (4.37089% change)
linmin: converged after 3 iterations.
iteration 55: trace = 0.001100112375152226 (4.65015% change)
linmin: converged after 3 iterations.
iteration 56: trace = 0.001077292854382175 (2.09603% change)
linmin: converged after 4 iterations.
iteration 57: trace = 0.001065332548683566 (1.11642% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.00104513236917925 (1.91429% change)
large trace change predicted (5.01463%)
linmin: converged after 3 iterations.
iteration 59: trace = 0.0009893701135198292 (5.48166% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0009134884190754299 (7.97555% change)
linmin: converged after 3 iterations.
iteration 61: trace = 0.0008747574426590694 (4.33173% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.000858354469847563 (1.89289% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0008424113301520909 (1.87482% change)
linmin: converged after 3 iterations.
iteration 64: trace = 0.0008152380191264975 (3.27854% change)
linmin: converged after 3 iterations.
iteration 65: trace = 0.0007878477209784779 (3.4172% change)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0007745627297707618 (1.70058% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0007672194415439325 (0.952571% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0007562123534745165 (1.44504% change)
large trace change predicted (3.45965%)
linmin: converged after 3 iterations.
iteration 69: trace = 0.0007292232463818413 (3.63383% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0007201718788796592 (1.24899% change)
large trace change predicted (5.3862%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006820040470914168 (5.44409% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006742704060955676 (1.14042% change)
large trace change predicted (28.309%)
linmin: converged after 4 iterations.
iteration 73: trace = 0.0005003027005612641 (29.6223% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0004903658384017742 (2.00609% change)
large trace change predicted (6.19981%)
linmin: converged after 4 iterations.
iteration 75: trace = 0.0004599272329149532 (6.40615% change)
linmin: converged after 3 iterations.
iteration 76: trace = 0.0004555356683804523 (0.959419% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.0004549395883227713 (0.130938% change)
large trace change predicted (0.67778%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0004518602134421152 (0.679174% change)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0004469389689295624 (1.09507% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0004430305347444902 (0.87833% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.000442607425356213 (0.0955491% change)
large trace change predicted (1.38401%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0004365008052143807 (1.38928% change)
linmin: converged after 2 iterations.
iteration 83: trace = 0.0004357919435499626 (0.162528% change)
large trace change predicted (0.763752%)
linmin: converged after 4 iterations.
iteration 84: trace = 0.0004324623297514571 (0.766967% change)
linmin: converged after 2 iterations.
iteration 85: trace = 0.0004322890730010333 (0.0400709% change)
large trace change predicted (1.24372%)
linmin: converged after 4 iterations.
iteration 86: trace = 0.0004268775609671831 (1.25971% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.000426488620218934 (0.0911545% change)
large trace change predicted (0.708716%)
linmin: converged after 4 iterations.
iteration 88: trace = 0.0004234535788968159 (0.714176% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0004232426024739935 (0.0498352% change)
large trace change predicted (0.349643%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0004217579218232346 (0.351403% change)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0004207658759738886 (0.235494% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.000419643806578354 (0.267029% change)
linmin: converged after 4 iterations.
iteration 93: trace = 0.0004186306125287615 (0.241733% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0004184953846838694 (0.0323076% change)
large trace change predicted (0.125504%)
linmin: converged after 4 iterations.
iteration 95: trace = 0.0004179692102346542 (0.125809% change)
linmin: converged after 4 iterations.
iteration 96: trace = 0.0004174146485233506 (0.132768% change)
linmin: converged after 4 iterations.
iteration 97: trace = 0.0004169210653863518 (0.118318% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.000416895351652614 (0.00616772% change)
large trace change predicted (0.194111%)
linmin: converged after 4 iterations.
iteration 99: trace = 0.0004160835439875391 (0.194917% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0004159547361826709 (0.030962% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0004157198047668428 (0.056496% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0004156861673653842 (0.00809169% change)
large trace change predicted (0.161367%)
linmin: converged after 3 iterations.
iteration 103: trace = 0.0004150157701166503 (0.161405% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0004149907929756055 (0.00601854% change)
large trace change predicted (0.0549512%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0004147628363877637 (0.0549456% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.00041473941894106 (0.00564614% change)
large trace change predicted (0.0338928%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.000414598893949622 (0.0338885% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0004145923269926535 (0.00158394% change)
large trace change predicted (0.0368808%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0004144394960417982 (0.0368697% change)
linmin: converged after 3 iterations.
iteration 110: trace = 0.0004143662526703229 (0.0176744% change)
linmin: converged after 3 iterations.
iteration 111: trace = 0.0004143003725873108 (0.0159003% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0004142972990297597 (0.00074187% change)
large trace change predicted (0.0409684%)
linmin: converged after 3 iterations.
iteration 113: trace = 0.000414127940130185 (0.0408869% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0004141257884175342 (0.000519578% change)
large trace change predicted (0.00468265%)
linmin: converged after 3 iterations.
iteration 115: trace = 0.0004141063987730488 (0.00468218% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0004141042374139382 (0.000521935% change)
large trace change predicted (0.0181301%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0004140291493707971 (0.0181343% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0004140277758762924 (0.000331739% change)
large trace change predicted (0.00913413%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0004139899444001971 (0.00913784% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0004139873451098017 (0.000627865% change)
large trace change predicted (0.00364927%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0004139722345276518 (0.00365008% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0004139689704135331 (0.000788489% change)
large trace change predicted (0.00587122%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0004139446555861704 (0.00587376% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0004139442371920818 (0.000101075% change)
large trace change predicted (0.000893311%)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0004139405390532763 (0.000893395% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0004139381541982404 (0.000576136% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0004139350539611409 (0.000748964% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0004139349273143466 (3.05958e-05% change)
large trace change predicted (0.000511258%)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0004139328107957864 (0.000511318% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0004139318232555436 (0.000238575% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0004139304983430069 (0.00032008% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.000413930426336523 (1.73958e-05% change)
large trace change predicted (0.000339426%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.000413929021229246 (0.000339456% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.000413928869425541 (3.66739e-05% change)
large trace change predicted (0.000224736%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0004139279391458814 (0.000224744% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0004139270056164055 (0.00022553% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0004139264559420506 (0.000132795% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0004139264207779527 (8.49525e-06% change)
large trace change predicted (7.61595e-05%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0004139261055340373 (7.61594e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.0004139258681095767 (5.73592e-05% change)
linmin: converged after 2 iterations.
iteration 141: trace = 0.0004139258431681084 (6.02559e-06% change)
large trace change predicted (7.23448e-05%)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0004139255437176683 (7.2344e-05% change)
linmin: converged after 2 iterations.
iteration 143: trace = 0.0004139249894461562 (0.000133906% change)
linmin: converged after 2 iterations.
iteration 144: trace = 0.0004139249792129146 (2.47225e-06% change)
large trace change predicted (7.06562e-05%)
linmin: converged after 2 iterations.
iteration 145: trace = 0.0004139246867594979 (7.06538e-05% change)
linmin: converged after 2 iterations.
iteration 146: trace = 0.0004139245182543499 (4.07091e-05% change)
linmin: converged after 2 iterations.
iteration 147: trace = 0.0004139244454850215 (1.75803e-05% change)
linmin: converged after 2 iterations.
iteration 148: trace = 0.0004139244240451057 (5.17967e-06% change)
large trace change predicted (4.81328e-05%)
linmin: converged after 2 iterations.
iteration 149: trace = 0.0004139242248159992 (4.81318e-05% change)
linmin: converged after 2 iterations.
iteration 150: trace = 0.0004139240693342946 (3.75628e-05% change)
linmin: converged after 2 iterations.
iteration 151: trace = 0.0004139239641619101 (2.54086e-05% change)
linmin: converged after 2 iterations.
iteration 152: trace = 0.0004139239522114461 (2.88712e-06% change)
large trace change predicted (2.76653e-05%)
linmin: converged after 2 iterations.
iteration 153: trace = 0.0004139238376982467 (2.76653e-05% change)
linmin: converged after 2 iterations.
iteration 154: trace = 0.0004139237782389009 (1.43648e-05% change)
linmin: converged after 2 iterations.
iteration 155: trace = 0.0004139236861952396 (2.22369e-05% change)
linmin: converged after 2 iterations.
iteration 156: trace = 0.0004139236797092943 (1.56694e-06% change)
large trace change predicted (1.2381e-05%)
linmin: converged after 2 iterations.
iteration 157: trace = 0.0004139236284611274 (1.23811e-05% change)
linmin: converged after 2 iterations.
iteration 158: trace = 0.0004139236190765908 (2.26721e-06% change)
linmin: converged after 2 iterations.
iteration 159: trace = 0.0004139236165391871 (6.13013e-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: 2.0361547470092773
total elapsed time for run: 2.061166524887085
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: 0.02043008804321289
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.0139704128560643 (199.998% change)
linmin: converged after 5 iterations.
iteration 2: trace = 0.0132524793511198 (5.27448% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.0130986458522337 (1.16757% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 4: trace = 0.01180419769834863 (10.396% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01092171084975079 (7.76635% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01048323620427258 (4.09695% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.0102424409902169 (2.32364% change)
linmin: converged after 9 iterations.
iteration 8: trace = 0.009296726181311703 (9.6802% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.009092549250368119 (2.22061% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008877950457948647 (2.38835% change)
linmin: converged after 6 iterations.
iteration 11: trace = 0.008191259877944545 (8.04596% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.008096286457250036 (1.16621% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.007980245656497442 (1.4436% change)
linmin: converged after 6 iterations.
iteration 14: trace = 0.007633080390759872 (4.44704% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.007551101189640433 (1.0798% change)
linmin: converged after 3 iterations.
iteration 16: trace = 0.007469146928752244 (1.09125% change)
large trace change predicted (3.9796%)
linmin: converged after 6 iterations.
iteration 17: trace = 0.007061705120393703 (5.60795% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.006903078386184279 (2.27181% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.006883599985830843 (0.282568% change)
large trace change predicted (0.911153%)
linmin: converged after 4 iterations.
iteration 20: trace = 0.006815255178259254 (0.997818% change)
large trace change predicted (3.64606%)
linmin: converged after 6 iterations.
iteration 21: trace = 0.006414667864075008 (6.05578% change)
linmin: converged after 5 iterations.
iteration 22: trace = 0.006179070463099257 (3.7415% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.006123365666980901 (0.90559% change)
large trace change predicted (1.96323%)
linmin: converged after 4 iterations.
iteration 24: trace = 0.005987920414011269 (2.23668% change)
linmin: converged after 5 iterations.
iteration 25: trace = 0.005770458877895238 (3.69884% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.005717242846779652 (0.926487% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.005689514766091017 (0.486169% change)
large trace change predicted (2.33743%)
linmin: converged after 5 iterations.
iteration 28: trace = 0.0055155938555738 (3.10431% change)
linmin: converged after 5 iterations.
iteration 29: trace = 0.004998906369324857 (9.82809% change)
linmin: converged after 6 iterations.
iteration 30: trace = 0.004775022746813334 (4.58124% change)
linmin: converged after 3 iterations.
iteration 31: trace = 0.004746932747026946 (0.590005% change)
linmin: converged after 3 iterations.
iteration 32: trace = 0.004704286249525102 (0.902455% change)
large trace change predicted (2.70435%)
linmin: converged after 4 iterations.
iteration 33: trace = 0.004559634268194269 (3.12291% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.004505785235690561 (1.18801% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.004486716278624719 (0.424108% change)
large trace change predicted (1.65013%)
linmin: converged after 4 iterations.
iteration 36: trace = 0.004403659935392051 (1.86846% change)
linmin: converged after 5 iterations.
iteration 37: trace = 0.004276526815743333 (2.92927% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.004241792311781543 (0.815525% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.004212672878599148 (0.688853% change)
large trace change predicted (2.6159%)
linmin: converged after 5 iterations.
iteration 40: trace = 0.004078307839140814 (3.24123% change)
linmin: converged after 5 iterations.
iteration 41: trace = 0.003921854172401122 (3.91126% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.003887258230763979 (0.88604% change)
linmin: converged after 4 iterations.
iteration 43: trace = 0.003877595631580035 (0.24888% change)
large trace change predicted (0.564259%)
linmin: converged after 3 iterations.
iteration 44: trace = 0.003854774509322144 (0.590275% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.003806743759081667 (1.25382% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.003784645770868018 (0.582186% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.003772030282992321 (0.33389% change)
large trace change predicted (1.10169%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.003727677192139758 (1.1828% change)
large trace change predicted (2.54483%)
linmin: converged after 5 iterations.
iteration 49: trace = 0.003617159141846617 (3.00941% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.003566314305231855 (1.41561% change)
linmin: converged after 3 iterations.
iteration 51: trace = 0.003555267782118358 (0.310227% change)
linmin: converged after 3 iterations.
iteration 52: trace = 0.003544772930963744 (0.295628% change)
large trace change predicted (0.882197%)
linmin: converged after 4 iterations.
iteration 53: trace = 0.003511336163560864 (0.94774% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.003474290018800609 (1.06064% change)
linmin: converged after 3 iterations.
iteration 55: trace = 0.003461055304593916 (0.38166% change)
linmin: converged after 3 iterations.
iteration 56: trace = 0.003450064076669668 (0.318074% change)
large trace change predicted (0.959984%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.003414599750484081 (1.03324% change)
linmin: converged after 4 iterations.
iteration 58: trace = 0.003355264791960272 (1.75291% change)
linmin: converged after 3 iterations.
iteration 59: trace = 0.00332883211888491 (0.790912% change)
linmin: converged after 3 iterations.
iteration 60: trace = 0.003316361826950451 (0.375318% change)
large trace change predicted (0.782533%)
linmin: converged after 3 iterations.
iteration 61: trace = 0.003288989405489377 (0.828795% change)
large trace change predicted (1.92333%)
linmin: converged after 4 iterations.
iteration 62: trace = 0.003216637088477782 (2.2243% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.003163328889122289 (1.67111% change)
linmin: converged after 3 iterations.
iteration 64: trace = 0.003147796524609273 (0.492222% change)
linmin: converged after 3 iterations.
iteration 65: trace = 0.003138735020039705 (0.288283% change)
large trace change predicted (0.631443%)
linmin: converged after 3 iterations.
iteration 66: trace = 0.003117908288078289 (0.665748% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.003080073611726987 (1.22087% change)
linmin: converged after 3 iterations.
iteration 68: trace = 0.003057130980376817 (0.747657% change)
linmin: converged after 3 iterations.
iteration 69: trace = 0.00304485318345138 (0.40242% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.00304064555406241 (0.138284% change)
large trace change predicted (0.662844%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.003020737913821156 (0.656868% change)
large trace change predicted (3.15233%)
linmin: converged after 4 iterations.
iteration 72: trace = 0.002929305667379479 (3.07333% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.002880127581972786 (1.69304% change)
large trace change predicted (4.94794%)
linmin: converged after 4 iterations.
iteration 74: trace = 0.002741582966708699 (4.92891% change)
linmin: converged after 4 iterations.
iteration 75: trace = 0.002701516927255687 (1.47218% change)
linmin: converged after 3 iterations.
iteration 76: trace = 0.002680059245945158 (0.79745% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.00265471166395599 (0.950278% change)
linmin: converged after 4 iterations.
iteration 78: trace = 0.002633953155029615 (0.785019% change)
linmin: converged after 4 iterations.
iteration 79: trace = 0.002632703149905893 (0.0474686% change)
large trace change predicted (1.11881%)
linmin: converged after 3 iterations.
iteration 80: trace = 0.002603510908528192 (1.11501% change)
linmin: converged after 4 iterations.
iteration 81: trace = 0.00260285295116619 (0.0252751% change)
large trace change predicted (1.98243%)
linmin: converged after 4 iterations.
iteration 82: trace = 0.002546719623663725 (2.18012% change)
linmin: converged after 4 iterations.
iteration 83: trace = 0.002545931326043291 (0.0309582% change)
large trace change predicted (0.28249%)
linmin: converged after 4 iterations.
iteration 84: trace = 0.002538665650579867 (0.285792% change)
linmin: converged after 4 iterations.
iteration 85: trace = 0.002531307084016676 (0.29028% change)
linmin: converged after 4 iterations.
iteration 86: trace = 0.002525454518380171 (0.231475% change)
linmin: converged after 4 iterations.
iteration 87: trace = 0.002519246691425381 (0.246113% change)
linmin: converged after 4 iterations.
iteration 88: trace = 0.002518419308579229 (0.0328479% change)
large trace change predicted (0.184395%)
linmin: converged after 4 iterations.
iteration 89: trace = 0.002513730250769216 (0.186364% change)
linmin: converged after 4 iterations.
iteration 90: trace = 0.00251296899881016 (0.0302883% change)
large trace change predicted (0.217796%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.002507432797603723 (0.220548% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.002507213225728507 (0.00875722% change)
large trace change predicted (0.5147%)
linmin: converged after 4 iterations.
iteration 93: trace = 0.002493995010873554 (0.528601% change)
linmin: converged after 4 iterations.
iteration 94: trace = 0.002493329897776792 (0.0266721% change)
large trace change predicted (1.39143%)
linmin: converged after 4 iterations.
iteration 95: trace = 0.002455039003718072 (1.54762% change)
linmin: converged after 3 iterations.
iteration 96: trace = 0.002452511872151304 (0.10299% change)
large trace change predicted (0.991276%)
linmin: converged after 4 iterations.
iteration 97: trace = 0.002425130456929799 (1.12273% change)
linmin: converged after 3 iterations.
iteration 98: trace = 0.002414082465741872 (0.456603% change)
large trace change predicted (2.45505%)
linmin: converged after 6 iterations.
iteration 99: trace = 0.002329261438862831 (3.57642% change)
linmin: converged after 3 iterations.
iteration 100: trace = 0.002325777946618368 (0.149665% change)
large trace change predicted (2.34227%)
linmin: converged after 6 iterations.
iteration 101: trace = 0.002229897091239039 (4.20929% change)
linmin: converged after 3 iterations.
iteration 102: trace = 0.002223845140008857 (0.271769% change)
large trace change predicted (1.18253%)
linmin: converged after 6 iterations.
iteration 103: trace = 0.002188150132729022 (1.61809% change)
linmin: converged after 3 iterations.
iteration 104: trace = 0.002182874759987037 (0.241379% change)
large trace change predicted (0.876822%)
linmin: converged after 5 iterations.
iteration 105: trace = 0.002159129103136433 (1.09376% change)
linmin: converged after 6 iterations.
iteration 106: trace = 0.00208978615307305 (3.26403% change)
linmin: converged after 4 iterations.
iteration 107: trace = 0.002082927081060265 (0.328758% change)
large trace change predicted (0.745454%)
linmin: converged after 5 iterations.
iteration 108: trace = 0.002064496299239504 (0.888782% change)
linmin: converged after 5 iterations.
iteration 109: trace = 0.002041753069079603 (1.10774% change)
linmin: converged after 3 iterations.
iteration 110: trace = 0.002039571461273639 (0.106907% change)
large trace change predicted (0.360866%)
linmin: converged after 4 iterations.
iteration 111: trace = 0.002031622915411303 (0.390477% change)
large trace change predicted (1.05067%)
linmin: converged after 5 iterations.
iteration 112: trace = 0.002004428314458371 (1.34758% change)
linmin: converged after 3 iterations.
iteration 113: trace = 0.001999407692270596 (0.250791% change)
linmin: converged after 3 iterations.
iteration 114: trace = 0.001995360220944052 (0.202639% change)
large trace change predicted (0.94685%)
linmin: converged after 5 iterations.
iteration 115: trace = 0.001971823715856173 (1.18656% change)
linmin: converged after 4 iterations.
iteration 116: trace = 0.001962095654854694 (0.494573% change)
linmin: converged after 3 iterations.
iteration 117: trace = 0.001959076237050774 (0.154006% change)
large trace change predicted (0.748967%)
linmin: converged after 5 iterations.
iteration 118: trace = 0.001941712281078687 (0.890279% change)
linmin: converged after 5 iterations.
iteration 119: trace = 0.001923375464254878 (0.948843% change)
linmin: converged after 3 iterations.
iteration 120: trace = 0.001920556295879501 (0.146681% change)
linmin: converged after 3 iterations.
iteration 121: trace = 0.001918029912417611 (0.131631% change)
large trace change predicted (0.549968%)
linmin: converged after 4 iterations.
iteration 122: trace = 0.001906201779680649 (0.618589% change)
linmin: converged after 4 iterations.
iteration 123: trace = 0.001898499562248807 (0.404879% change)
linmin: converged after 3 iterations.
iteration 124: trace = 0.001896557449980023 (0.10235% change)
large trace change predicted (0.277058%)
linmin: converged after 3 iterations.
iteration 125: trace = 0.001891002137955979 (0.293345% change)
large trace change predicted (0.718159%)
linmin: converged after 5 iterations.
iteration 126: trace = 0.001875212232295983 (0.838503% change)
linmin: converged after 3 iterations.
iteration 127: trace = 0.001869456093844371 (0.307431% change)
linmin: converged after 3 iterations.
iteration 128: trace = 0.00186792318825518 (0.082031% change)
large trace change predicted (0.22535%)
linmin: converged after 3 iterations.
iteration 129: trace = 0.001863513872030575 (0.236333% change)
large trace change predicted (0.500516%)
linmin: converged after 4 iterations.
iteration 130: trace = 0.001853142211892145 (0.558118% change)
linmin: converged after 3 iterations.
iteration 131: trace = 0.001849375854629947 (0.203448% change)
linmin: converged after 3 iterations.
iteration 132: trace = 0.001848037517242709 (0.0723932% change)
large trace change predicted (0.20788%)
linmin: converged after 3 iterations.
iteration 133: trace = 0.001844026902180305 (0.217256% change)
linmin: converged after 4 iterations.
iteration 134: trace = 0.001836311623959848 (0.41927% change)
linmin: converged after 3 iterations.
iteration 135: trace = 0.00183376147018975 (0.13897% change)
linmin: converged after 3 iterations.
iteration 136: trace = 0.001832871786144484 (0.0485287% change)
large trace change predicted (0.135932%)
linmin: converged after 3 iterations.
iteration 137: trace = 0.001830312047423666 (0.139755% change)
large trace change predicted (0.311765%)
linmin: converged after 4 iterations.
iteration 138: trace = 0.001824235935099906 (0.332523% change)
linmin: converged after 3 iterations.
iteration 139: trace = 0.001821681787630365 (0.14011% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 140: trace = 0.001821340978815236 (0.0187102% change)
large trace change predicted (0.0804528%)
linmin: converged after 3 iterations.
iteration 141: trace = 0.001819877066200929 (0.0804079% change)
large trace change predicted (0.409916%)
linmin: converged after 3 iterations.
iteration 142: trace = 0.001812499503995081 (0.406211% change)
linmin: converged after 3 iterations.
iteration 143: trace = 0.001811454519153915 (0.057671% change)
large trace change predicted (0.477167%)
linmin: converged after 4 iterations.
iteration 144: trace = 0.001802735963162303 (0.482462% change)
linmin: converged after 2 iterations.
iteration 145: trace = 0.0018025281290564 (0.0115295% change)
large trace change predicted (0.204614%)
linmin: converged after 4 iterations.
iteration 146: trace = 0.001798817730660552 (0.206056% change)
linmin: converged after 2 iterations.
iteration 147: trace = 0.001797914790925785 (0.0502089% change)
linmin: converged after 2 iterations.
iteration 148: trace = 0.001797855061939286 (0.00332218% change)
large trace change predicted (0.0666456%)
linmin: converged after 3 iterations.
iteration 149: trace = 0.001796663044738919 (0.0663242% change)
linmin: converged after 2 iterations.
iteration 150: trace = 0.0017965541244585 (0.00606255% change)
large trace change predicted (0.0339861%)
linmin: converged after 3 iterations.
iteration 151: trace = 0.001795941681916063 (0.0340957% change)
linmin: converged after 3 iterations.
iteration 152: trace = 0.001795556193852691 (0.0214667% change)
linmin: converged after 2 iterations.
iteration 153: trace = 0.0017955379464277 (0.00101626% change)
large trace change predicted (0.0137742%)
linmin: converged after 3 iterations.
iteration 154: trace = 0.001795291078519503 (0.0137499% change)
linmin: converged after 3 iterations.
iteration 155: trace = 0.001795240452727127 (0.00281996% change)
linmin: converged after 3 iterations.
iteration 156: trace = 0.001795226987864493 (0.000750034% change)
large trace change predicted (0.00308087%)
linmin: converged after 3 iterations.
iteration 157: trace = 0.001795171693735659 (0.00308011% change)
linmin: converged after 2 iterations.
iteration 158: trace = 0.001795171107873286 (3.26355e-05% change)
large trace change predicted (0.000971063%)
linmin: converged after 2 iterations.
iteration 159: trace = 0.001795153665886529 (0.000971611% change)
linmin: converged after 2 iterations.
iteration 160: trace = 0.001795145309854317 (0.000465478% change)
linmin: converged after 2 iterations.
iteration 161: trace = 0.00179513965312974 (0.000315113% change)
linmin: converged after 2 iterations.
iteration 162: trace = 0.001795132316401347 (0.0004087% change)
linmin: converged after 2 iterations.
iteration 163: trace = 0.001795130761273383 (8.66303e-05% change)
large trace change predicted (0.000263293%)
linmin: converged after 2 iterations.
iteration 164: trace = 0.001795126034816996 (0.000263293% change)
linmin: converged after 2 iterations.
iteration 165: trace = 0.001795120368150943 (0.00031567% change)
linmin: converged after 2 iterations.
iteration 166: trace = 0.001795120265519493 (5.71725e-06% change)
large trace change predicted (0.000128194%)
linmin: converged after 2 iterations.
iteration 167: trace = 0.001795117964380443 (0.000128189% change)
linmin: converged after 2 iterations.
iteration 168: trace = 0.001795116608933502 (7.55074e-05% change)
linmin: converged after 2 iterations.
iteration 169: trace = 0.00179511627836154 (1.84151e-05% change)
large trace change predicted (0.000128111%)
linmin: converged after 2 iterations.
iteration 170: trace = 0.001795113978637419 (0.00012811% change)
linmin: converged after 2 iterations.
iteration 171: trace = 0.001795113633504466 (1.92262e-05% change)
large trace change predicted (0.000217276%)
linmin: converged after 2 iterations.
iteration 172: trace = 0.001795109733048418 (0.000217282% change)
linmin: converged after 2 iterations.
iteration 173: trace = 0.001795108024777415 (9.51625e-05% change)
linmin: converged after 2 iterations.
iteration 174: trace = 0.001795107713859962 (1.73203e-05% change)
linmin: converged after 2 iterations.
iteration 175: trace = 0.001795107475576212 (1.32741e-05% change)
linmin: converged after 2 iterations.
iteration 176: trace = 0.001795107189145246 (1.59562e-05% change)
large trace change predicted (4.80672e-05%)
linmin: converged after 2 iterations.
iteration 177: trace = 0.00179510632617458 (4.80735e-05% change)
linmin: converged after 3 iterations.
iteration 178: trace = 0.001795105301167914 (5.71001e-05% change)
linmin: converged after 2 iterations.
iteration 179: trace = 0.001795105257128391 (2.45331e-06% change)
large trace change predicted (6.13335e-05%)
linmin: converged after 2 iterations.
iteration 180: trace = 0.001795104156147805 (6.13324e-05% change)
linmin: converged after 2 iterations.
iteration 181: trace = 0.001795103906910977 (1.38843e-05% change)
linmin: converged after 2 iterations.
iteration 182: trace = 0.0017951037535781 (8.54173e-06% change)
large trace change predicted (2.98372e-05%)
linmin: converged after 2 iterations.
iteration 183: trace = 0.001795103217903727 (2.98409e-05% change)
linmin: converged after 2 iterations.
iteration 184: trace = 0.001795103166259897 (2.87693e-06% change)
large trace change predicted (3.00403e-05%)
linmin: converged after 3 iterations.
iteration 185: trace = 0.001795102627068009 (3.00368e-05% change)
linmin: converged after 2 iterations.
iteration 186: trace = 0.001795102523468026 (5.77126e-06% change)
linmin: converged after 1 iterations.
iteration 187: trace = 0.001795102514608241 (4.93553e-07% change)
Finished solving for bands 1 to 1 after 187 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209
elapsed time for k point: 2.61398983001709
total elapsed time for run: 2.634540319442749
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: 0.023279190063476562
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.013963968885107 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327343044449466 (5.07052% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01314818569010378 (0.948048% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.0114184657882724 (14.0819% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01061430622937402 (7.29967% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01023471071196789 (3.64138% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009988837075714865 (2.43156% change)
linmin: converged after 7 iterations.
iteration 8: trace = 0.009059508094119836 (9.75758% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008774558877247287 (3.19556% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.00866446695717939 (1.26259% change)
large trace change predicted (5.16734%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007650222378830409 (12.4335% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.00740758423591588 (3.22276% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.007287287721433702 (1.63726% change)
large trace change predicted (4.46443%)
linmin: converged after 8 iterations.
iteration 14: trace = 0.006585376156717638 (10.1193% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.006385665995878973 (3.07932% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.006173327684017634 (3.38145% change)
large trace change predicted (7.03964%)
linmin: converged after 6 iterations.
iteration 17: trace = 0.005372344447179532 (13.875% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.005203493896288347 (3.19314% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.005158140160559399 (0.875417% change)
large trace change predicted (7.03307%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.004551124706280261 (12.5038% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.004053087734002537 (11.5766% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.003982686104531706 (1.75221% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003851118513799384 (3.35897% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.003554514950173305 (8.01021% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.003482282941072207 (2.05298% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.003443376782538215 (1.12354% change)
large trace change predicted (5.80293%)
linmin: converged after 6 iterations.
iteration 27: trace = 0.00316719165356456 (8.35587% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002727294773809876 (14.9257% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.002614089198364384 (4.23881% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.00257888861094957 (1.3557% change)
large trace change predicted (3.42483%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.002480493356288463 (3.88962% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.002367651133013872 (4.65507% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.002337966297052935 (1.26168% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.00230952225688578 (1.22406% change)
large trace change predicted (5.26705%)
linmin: converged after 5 iterations.
iteration 35: trace = 0.002163759017512322 (6.51706% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001939452304810562 (10.9332% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001869572230018964 (3.66918% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001846153068869821 (1.26054% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001797037323899581 (2.6963% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001701311179786818 (5.47265% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001657879763097633 (2.58583% change)
linmin: converged after 3 iterations.
iteration 42: trace = 0.001643731377056206 (0.85706% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001620701965221875 (1.41093% change)
large trace change predicted (3.46706%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001559215156962916 (3.8672% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.001512999776484534 (3.0086% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.001497753787335513 (1.01277% change)
linmin: converged after 3 iterations.
iteration 47: trace = 0.001482591473435619 (1.01749% change)
large trace change predicted (3.11595%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.001433496093908501 (3.36721% change)
linmin: converged after 4 iterations.
iteration 49: trace = 0.001357637973057045 (5.43565% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.001326948326814554 (2.28636% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.001316932853670223 (0.757634% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.001304998593560836 (0.910341% change)
linmin: converged after 3 iterations.
iteration 53: trace = 0.001282234360760188 (1.75974% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.001266870293563167 (1.20545% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.001261655054991738 (0.412512% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.001256779863390343 (0.38716% change)
large trace change predicted (1.2699%)
linmin: converged after 3 iterations.
iteration 57: trace = 0.001240453870888203 (1.30753% change)
large trace change predicted (2.87445%)
linmin: converged after 3 iterations.
iteration 58: trace = 0.001202896860413082 (3.07422% change)
linmin: converged after 3 iterations.
iteration 59: trace = 0.001179735208781389 (1.94421% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.001172296235985355 (0.632557% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.001166242359723673 (0.517749% change)
large trace change predicted (1.07992%)
linmin: converged after 3 iterations.
iteration 62: trace = 0.001153409487716534 (1.10645% change)
linmin: converged after 3 iterations.
iteration 63: trace = 0.001139191286258534 (1.24036% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.001133617688690072 (0.490459% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.00113098511869201 (0.232497% change)
linmin: converged after 4 iterations.
iteration 66: trace = 0.001126199418166274 (0.424042% change)
large trace change predicted (1.0217%)
linmin: converged after 4 iterations.
iteration 67: trace = 0.001114492081984796 (1.04498% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.001104425130405109 (0.907375% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.001100671902352011 (0.340414% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.00109985764296582 (0.0740058% change)
large trace change predicted (0.448655%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.001094930579151795 (0.448979% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.001092058041036904 (0.262693% change)
large trace change predicted (1.1343%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.001079697301944153 (1.13832% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.001075945706009769 (0.348072% change)
large trace change predicted (5.69647%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.001015472061312677 (5.78303% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.001011722488237998 (0.369927% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.001006696724638215 (0.49799% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.001006471831575824 (0.0223422% change)
large trace change predicted (0.321601%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.001003240532943453 (0.321568% change)
large trace change predicted (0.843447%)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0009948316941722735 (0.841695% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0009932059482021609 (0.163553% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0009920100956332927 (0.120476% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0009909098472237663 (0.110973% change)
large trace change predicted (0.343974%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0009875186028338295 (0.342822% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0009868351271945944 (0.0692354% change)
large trace change predicted (0.23392%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0009845322568588497 (0.233632% change)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0009832644457029376 (0.128856% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0009830636446434241 (0.020424% change)
large trace change predicted (0.143137%)
linmin: converged after 4 iterations.
iteration 89: trace = 0.0009816542877263584 (0.143467% change)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0009807285600265862 (0.0943473% change)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0009801262096659732 (0.0614375% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0009797003662723504 (0.0434573% change)
large trace change predicted (0.150715%)
linmin: converged after 4 iterations.
iteration 93: trace = 0.0009782177342183289 (0.15145% change)
linmin: converged after 4 iterations.
iteration 94: trace = 0.0009773746219091711 (0.0862258% change)
linmin: converged after 4 iterations.
iteration 95: trace = 0.0009769392448650391 (0.0445555% change)
linmin: converged after 4 iterations.
iteration 96: trace = 0.000976685423184101 (0.0259847% change)
large trace change predicted (0.0932274%)
linmin: converged after 4 iterations.
iteration 97: trace = 0.0009757710907699708 (0.0936597% change)
linmin: converged after 4 iterations.
iteration 98: trace = 0.0009747603385530539 (0.103639% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0009746951131746295 (0.00669165% change)
large trace change predicted (0.066841%)
linmin: converged after 4 iterations.
iteration 100: trace = 0.0009740429646618353 (0.0669303% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0009739030579464571 (0.0143645% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0009736734114917995 (0.0235828% change)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0009736547111499278 (0.00192062% change)
large trace change predicted (0.0320894%)
linmin: converged after 4 iterations.
iteration 104: trace = 0.0009733419668097387 (0.0321258% change)
linmin: converged after 2 iterations.
iteration 105: trace = 0.0009731524759811823 (0.01947% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0009729383974930681 (0.0220009% change)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0009728422981667072 (0.00987771% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0009727738508667301 (0.00703605% change)
linmin: converged after 2 iterations.
iteration 109: trace = 0.0009727199318780947 (0.00554296% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0009727001609085115 (0.00203257% change)
large trace change predicted (0.00486823%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.000972652788100856 (0.00487036% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0009726459000982743 (0.000708169% change)
large trace change predicted (0.0028796%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0009726178782570221 (0.00288103% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0009726136550669275 (0.00043421% change)
large trace change predicted (0.0044832%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0009725700210456031 (0.00448637% change)
linmin: converged after 3 iterations.
iteration 116: trace = 0.0009725477185902434 (0.00229317% change)
linmin: converged after 3 iterations.
iteration 117: trace = 0.0009725169993835521 (0.00315868% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0009725054398552108 (0.00118863% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0009724922314135625 (0.0013582% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0009724858987532097 (0.000651181% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0009724828068150284 (0.000317942% change)
large trace change predicted (0.000766325%)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0009724753544886734 (0.000766323% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0009724751391760901 (2.21407e-05% change)
large trace change predicted (0.000487741%)
linmin: converged after 3 iterations.
iteration 124: trace = 0.0009724703967827628 (0.000487663% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0009724695722731552 (8.47851e-05% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0009724686023173627 (9.97416e-05% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0009724683963283687 (2.11821e-05% change)
large trace change predicted (0.000182956%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0009724666170982548 (0.00018296% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0009724665630290424 (5.56001e-06% change)
large trace change predicted (8.58149e-05%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0009724657284832429 (8.58175e-05% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0009724651010355564 (6.45213e-05% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0009724646247807183 (4.8974e-05% change)
large trace change predicted (0.000202977%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0009724626509303127 (0.000202974% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0009724620375443926 (6.30755e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0009724615331301186 (5.18698e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0009724608659776645 (6.86045e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0009724601155291662 (7.71701e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0009724600796040578 (3.69425e-06% change)
large trace change predicted (1.51509e-05%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0009724599322678876 (1.51509e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.0009724599005561631 (3.26098e-06% change)
linmin: converged after 2 iterations.
iteration 141: trace = 0.0009724598673352126 (3.41618e-06% change)
large trace change predicted (1.39418e-05%)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0009724597317585543 (1.39416e-05% change)
linmin: converged after 2 iterations.
iteration 143: trace = 0.000972459650211416 (8.38566e-06% change)
linmin: converged after 2 iterations.
iteration 144: trace = 0.0009724596426331909 (7.79284e-07% change)
Finished solving for bands 1 to 1 after 144 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374
elapsed time for k point: 2.082120180130005
total elapsed time for run: 2.105523109436035
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: 0.022374391555786133
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396244070952001 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327734802514242 (5.03009% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.01312938938238878 (1.12061% change)
near maximum in trace
linmin: converged after 7 iterations.
iteration 4: trace = 0.01143971570304361 (13.7545% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.0105661862593834 (7.93905% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01008942352517646 (4.6163% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009853432414314828 (2.36667% change)
linmin: converged after 9 iterations.
iteration 8: trace = 0.00879644737201061 (11.335% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008458573892327015 (3.91623% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008228863765741978 (2.75309% change)
large trace change predicted (6.26136%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.006959104853007302 (16.7206% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006731675903006996 (3.32237% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006525014650750336 (3.11784% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005693152944302004 (13.6168% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005504795126336618 (3.36415% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005182224286438158 (6.03668% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.0044105513144986 (16.0886% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004283910858601568 (2.91313% change)
linmin: converged after 4 iterations.
iteration 19: trace = 0.004224603984099812 (1.39406% change)
large trace change predicted (9.32565%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003556460288349742 (17.1736% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003124334182308876 (12.9364% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003069228500307204 (1.77945% change)
large trace change predicted (3.71325%)
linmin: converged after 5 iterations.
iteration 23: trace = 0.002934336283155909 (4.49374% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002642331733349835 (10.4724% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002571579567560927 (2.71398% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002533478245051361 (1.49269% change)
large trace change predicted (7.65005%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002278678035451331 (10.5899% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.001883039953371402 (19.0132% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001791571188527097 (4.97842% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001767270133760926 (1.36567% change)
large trace change predicted (3.86857%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.00169217116213239 (4.34168% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001555831949242743 (8.39526% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001511411252227819 (2.89646% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001486905418488265 (1.63464% change)
large trace change predicted (5.92327%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001387435430266622 (6.92124% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001194026458912932 (14.9845% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001122562342795258 (6.16977% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001099956477072608 (2.03426% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.00105918224033337 (3.7769% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.0009866837678476393 (7.08731% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.0009558629207720003 (3.17324% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.0009452267883513073 (1.11895% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.0009243211031386557 (2.23644% change)
large trace change predicted (6.26126%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0008615593030195791 (7.02867% change)
linmin: converged after 3 iterations.
iteration 45: trace = 0.0008134176826142257 (5.74833% change)
linmin: converged after 4 iterations.
iteration 46: trace = 0.0007986283255294427 (1.83486% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0007852627945361737 (1.68768% change)
large trace change predicted (4.77797%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0007461125162184888 (5.11309% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0006970945356581758 (6.79292% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.000680892618314573 (2.35153% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0006752932687554085 (0.82575% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0006660950936085674 (1.37144% change)
large trace change predicted (3.11166%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0006448656202478612 (3.23877% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0006304610544060703 (2.25896% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0006258397561453801 (0.735699% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0006213724158296615 (0.716372% change)
large trace change predicted (2.22111%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0006073554438713578 (2.28154% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0005849991897674963 (3.74993% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0005750384420439861 (1.71731% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0005705355312084113 (0.786141% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.000562775909447368 (1.36937% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0005488357744973057 (2.50809% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0005415218645897253 (1.34156% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0005394069954582029 (0.391306% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0005374974140522867 (0.354643% change)
large trace change predicted (1.05234%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0005318034220926464 (1.06499% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0005225513688305628 (1.75502% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0005182232127259536 (0.831718% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0005162072680176623 (0.389769% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0005155092907289642 (0.135304% change)
large trace change predicted (0.688124%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0005119637368328733 (0.69015% change)
linmin: converged after 2 iterations.
iteration 72: trace = 0.0005116082162739982 (0.0694666% change)
large trace change predicted (2.65047%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0004980720955543454 (2.68127% change)
linmin: converged after 2 iterations.
iteration 74: trace = 0.0004962593830382443 (0.364609% change)
large trace change predicted (4.18178%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0004755685305139867 (4.25813% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0004613074630933708 (3.04439% change)
linmin: converged after 3 iterations.
iteration 77: trace = 0.0004610867968600356 (0.0478464% change)
large trace change predicted (0.213803%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0004601018611141185 (0.21384% change)
large trace change predicted (1.00026%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.000455517535446558 (1.00136% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0004514547054348013 (0.895911% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0004512636246026654 (0.0423345% change)
large trace change predicted (0.206391%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0004503349945079216 (0.205996% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0004501374789161126 (0.0438693% change)
large trace change predicted (0.562754%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0004476360710489421 (0.557247% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0004475864327809164 (0.0110896% change)
large trace change predicted (0.12546%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0004470257239679656 (0.125352% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.000446982566757198 (0.00965477% change)
large trace change predicted (0.115451%)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0004464661248476459 (0.115606% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0004464504551904783 (0.00350977% change)
large trace change predicted (0.177837%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.000445653874635074 (0.178585% change)
linmin: converged after 2 iterations.
iteration 91: trace = 0.0004456257171310337 (0.00631844% change)
large trace change predicted (0.074741%)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0004452924589946991 (0.0748123% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0004452687856051591 (0.00531651% change)
large trace change predicted (0.113007%)
linmin: converged after 3 iterations.
iteration 94: trace = 0.0004447657260541854 (0.113043% change)
linmin: converged after 2 iterations.
iteration 95: trace = 0.0004447267673626513 (0.00875976% change)
large trace change predicted (0.105917%)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0004442556986459031 (0.105979% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0004442455806050875 (0.00227755% change)
large trace change predicted (0.0817138%)
linmin: converged after 3 iterations.
iteration 98: trace = 0.0004438810888302759 (0.082081% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0004438500905870567 (0.0069837% change)
large trace change predicted (0.0240443%)
linmin: converged after 2 iterations.
iteration 100: trace = 0.000443743225500739 (0.0240797% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0004437391651983485 (0.000915016% change)
large trace change predicted (0.0185711%)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0004436567046655403 (0.0185848% change)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0004436180975635375 (0.0087024% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.000443596595424942 (0.00484711% change)
linmin: converged after 2 iterations.
iteration 105: trace = 0.0004435901010888418 (0.00146403% change)
large trace change predicted (0.0143213%)
linmin: converged after 3 iterations.
iteration 106: trace = 0.000443526612158538 (0.0143135% change)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0004434983515584871 (0.006372% change)
linmin: converged after 3 iterations.
iteration 108: trace = 0.00044347610051672 (0.00501729% change)
linmin: converged after 2 iterations.
iteration 109: trace = 0.0004434714731017632 (0.00104345% change)
large trace change predicted (0.00742987%)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0004434385151230384 (0.00743209% change)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0004434252055768146 (0.00300149% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0004434206868132168 (0.00101906% change)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0004434136924359412 (0.00157738% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0004434078981872004 (0.00130675% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0004434060803082016 (0.00040998% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0004434035864054641 (0.000562444% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0004433997721779338 (0.000860219% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0004433993922834479 (8.56777e-05% change)
large trace change predicted (0.000765319%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0004433959989794154 (0.000765296% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0004433937107530648 (0.00051607% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0004433925552247438 (0.00026061% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0004433924380077825 (2.64364e-05% change)
large trace change predicted (0.000654702%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0004433895351568387 (0.000654693% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0004433889271465965 (0.000137128% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0004433880632293187 (0.000194844% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.000443388031228047 (7.21744e-06% change)
large trace change predicted (9.11993e-05%)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0004433876268651143 (9.11985e-05% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0004433874490725925 (4.00987e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0004433873033573263 (3.28641e-05% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0004433872992476704 (9.26877e-07% change)
Finished solving for bands 1 to 1 after 130 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732
elapsed time for k point: 1.8730266094207764
total elapsed time for run: 1.8955237865447998
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: 0.023560285568237305
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396317243285668 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327582341516153 (5.0468% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313921802708362 (1.0343% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01142281205553351 (13.9761% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01058525607493297 (7.61135% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.0101589837044347 (4.10979% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009918237309329864 (2.3982% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.00892797107728269 (10.5089% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008614717280223476 (3.57133% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.008466233313485243 (1.73859% change)
large trace change predicted (5.78164%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007282511329325394 (15.0326% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.007044999189471032 (3.31547% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006874592947715286 (2.44844% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.006133148163368856 (11.4001% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005961549769357523 (2.83758% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005645565245526819 (5.44467% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.004830936611883179 (15.5515% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004686994044926179 (3.02466% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004633898350181182 (1.13928% change)
large trace change predicted (8.32154%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003985702634698927 (15.04% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003535474708241069 (11.9723% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003476369469699929 (1.68587% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.00333818592248314 (4.05554% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.003040239886137003 (9.34231% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002968314177935729 (2.39411% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002929179324696153 (1.32717% change)
large trace change predicted (6.73473%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002665163221220175 (9.43868% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002263716107325872 (16.2896% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.00216893450910269 (4.27652% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.002140776398946851 (1.30673% change)
large trace change predicted (3.62381%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.002054832936078479 (4.09683% change)
linmin: converged after 4 iterations.
iteration 32: trace = 0.001928675147038835 (6.334% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001891060683027584 (1.96948% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001863419993304216 (1.47241% change)
large trace change predicted (5.5606%)
linmin: converged after 5 iterations.
iteration 35: trace = 0.001742904242518234 (6.68358% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001553603641478992 (11.4849% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001490518358322988 (4.14473% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001465056863302722 (1.72295% change)
large trace change predicted (3.54511%)
linmin: converged after 4 iterations.
iteration 39: trace = 0.001409511515969067 (3.8646% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001324643606815046 (6.20798% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001293109867277146 (2.40922% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001281892836851446 (0.871225% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001258915302635903 (1.80868% change)
large trace change predicted (4.91517%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001191045275692942 (5.5405% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.001138499727044202 (4.51123% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.001122170058270399 (1.44468% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.001108595699023488 (1.21701% change)
large trace change predicted (3.33729%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.00106990137210023 (3.55239% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.001014621259077012 (5.30386% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.0009931819911279671 (2.13559% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0009855932451830235 (0.767014% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.000974719876304833 (1.10935% change)
large trace change predicted (2.27865%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0009518762290181694 (2.3714% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.0009362068768610649 (1.65982% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0009309620733688387 (0.561792% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0009261399277447124 (0.519319% change)
large trace change predicted (1.55474%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0009114740520546793 (1.59619% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0008851577234215649 (2.92952% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.000871693071461078 (1.53282% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0008661342145254756 (0.639748% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0008582710079949929 (0.911991% change)
linmin: converged after 3 iterations.
iteration 62: trace = 0.00084222830201513 (1.88682% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0008310961553877375 (1.33054% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0008278256094743229 (0.394298% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0008259581513410663 (0.225841% change)
large trace change predicted (0.54409%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0008214375661512261 (0.548816% change)
large trace change predicted (1.31796%)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0008104570891759209 (1.34573% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0008022185029139933 (1.02173% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0007990641591545313 (0.393977% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.000798267427250896 (0.0997579% change)
large trace change predicted (0.511106%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0007941909653984683 (0.511971% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0007934194265270598 (0.097195% change)
large trace change predicted (2.05123%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0007771906069316093 (2.06656% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0007749505868597712 (0.288636% change)
large trace change predicted (3.32417%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0007492994743128429 (3.36574% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0007303048045879829 (2.56753% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0007296260899938505 (0.092979% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0007286441023556302 (0.134678% change)
large trace change predicted (0.558198%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0007245873406325023 (0.558309% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0007180771875012872 (0.902518% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0007177753846878525 (0.0420381% change)
large trace change predicted (0.226857%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0007161515296069531 (0.226491% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0007160330404420501 (0.0165466% change)
large trace change predicted (0.465216%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0007127367071705165 (0.461423% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0007126620769586315 (0.0104715% change)
large trace change predicted (0.165499%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0007114852716353512 (0.165265% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.0007114282832188135 (0.0080101% change)
large trace change predicted (0.095004%)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0007107523356494787 (0.0950579% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0007107286747959787 (0.00332904% change)
large trace change predicted (0.213089%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0007092078344343416 (0.214212% change)
linmin: converged after 2 iterations.
iteration 91: trace = 0.0007089701515770342 (0.0335195% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0007085829024920111 (0.0546363% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0007085381993791572 (0.006309% change)
large trace change predicted (0.0927125%)
linmin: converged after 4 iterations.
iteration 94: trace = 0.0007078806538428434 (0.0928462% change)
linmin: converged after 4 iterations.
iteration 95: trace = 0.0007072074075475011 (0.0951526% change)
linmin: converged after 4 iterations.
iteration 96: trace = 0.0007068181437308895 (0.0550575% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0007067093274571758 (0.0153964% change)
large trace change predicted (0.0560665%)
linmin: converged after 4 iterations.
iteration 98: trace = 0.0007063118363022213 (0.0562612% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0007061403184934812 (0.0242865% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0007060950996107473 (0.00640387% change)
large trace change predicted (0.0267454%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0007059060330952891 (0.0267799% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0007058881454630703 (0.00253403% change)
large trace change predicted (0.0136289%)
linmin: converged after 3 iterations.
iteration 103: trace = 0.000705791958119235 (0.0136274% change)
linmin: converged after 3 iterations.
iteration 104: trace = 0.0007057842514746187 (0.00109192% change)
large trace change predicted (0.0186307%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0007056529475522983 (0.0186057% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0007056483369617469 (0.000653381% change)
large trace change predicted (0.0148068%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0007055439182104608 (0.0147987% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0007055329035967619 (0.00156116% change)
large trace change predicted (0.0110758%)
linmin: converged after 2 iterations.
iteration 109: trace = 0.0007054546515591708 (0.0110918% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.000705450274352933 (0.000620482% change)
large trace change predicted (0.00195447%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0007054364838128093 (0.00195488% change)
linmin: converged after 3 iterations.
iteration 112: trace = 0.0007054238644720394 (0.00178889% change)
linmin: converged after 3 iterations.
iteration 113: trace = 0.0007054118291849954 (0.00170612% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0007054065895967991 (0.000742773% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.000705402295244772 (0.000608779% change)
large trace change predicted (0.00136007%)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0007053927001434934 (0.00136024% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0007053920786220416 (8.811e-05% change)
large trace change predicted (0.00165021%)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0007053804353968566 (0.00165062% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0007053797879385811 (9.17886e-05% change)
large trace change predicted (0.000677675%)
linmin: converged after 3 iterations.
iteration 120: trace = 0.0007053750082369959 (0.000677609% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.000705374208098857 (0.000113434% change)
large trace change predicted (0.000715979%)
linmin: converged after 3 iterations.
iteration 122: trace = 0.0007053691586075307 (0.000715862% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0007053690877136454 (1.00506e-05% change)
large trace change predicted (0.000338665%)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0007053666990218499 (0.000338645% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0007053665919396272 (1.51811e-05% change)
large trace change predicted (0.000210995%)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0007053651035997163 (0.000211003% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0007053650603494894 (6.13161e-06% change)
large trace change predicted (3.74998e-05%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0007053647958367643 (3.75001e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0007053645526031884 (3.44834e-05% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0007053644026624995 (2.12572e-05% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0007053642119763969 (2.70337e-05% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0007053641295694905 (1.16829e-05% change)
large trace change predicted (3.47577e-05%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0007053638844030214 (3.47574e-05% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.000705363876868119 (1.06823e-06% change)
large trace change predicted (6.4584e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0007053634213077374 (6.45852e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0007053633820806043 (5.56127e-06% change)
large trace change predicted (2.17913e-05%)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0007053632283731598 (2.17912e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.000705363220373406 (1.13413e-06% change)
large trace change predicted (1.65302e-05%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0007053631037760407 (1.65301e-05% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.0007053630961879911 (1.07577e-06% change)
large trace change predicted (8.44799e-06%)
linmin: converged after 2 iterations.
iteration 141: trace = 0.000705363036599132 (8.44797e-06% change)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0007053630328314592 (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: 2.0084526538848877
total elapsed time for run: 2.0321455001831055
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: 0.02211618423461914
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 = 0.01327684595598253 (5.03584% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313324005126112 (1.08751% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143110159363475 (13.8586% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057166476712294 (7.81208% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011480006992648 (4.41704% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876896507187892 (2.38002% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008845869822923064 (11.0136% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008516806987200545 (3.79046% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008325902737333319 (2.26691% change)
large trace change predicted (6.10025%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074435670628136 (16.2525% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006841983820928351 (3.34068% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006643948104078183 (2.93692% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865142910627932 (12.4518% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690265827323177 (3.02676% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005358817859046534 (5.99956% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004559992561182125 (16.1073% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004422633267909758 (3.05833% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004367501598838224 (1.2544% change)
large trace change predicted (8.81855%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725260303643653 (15.872% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003275912354827932 (12.8364% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.00321729191426386 (1.80559% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003089322841901015 (4.05825% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002788506790121337 (10.2356% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710327276137733 (2.84349% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002673641018410782 (1.3628% change)
large trace change predicted (6.80645%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438399819800866 (9.20342% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002033628117893882 (18.1024% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001932625575540724 (5.0931% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907447121682367 (1.31135% change)
large trace change predicted (3.49617%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834380521748458 (3.9054% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001693627002757739 (7.97921% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001645862013277153 (2.86062% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001621572416332617 (1.48677% change)
large trace change predicted (5.19604%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001526837304743273 (6.01797% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331181622065788 (13.6917% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255055950375255 (5.88698% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001231638631463513 (1.88341% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191185578571564 (3.33933% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001115731224187569 (6.54158% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001081930559026527 (3.07606% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001070713334854979 (1.04218% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050332277628762 (1.92179% change)
large trace change predicted (5.53461%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.000987163372203733 (6.20064% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009348499846542396 (5.4436% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009186091628691179 (1.75249% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009053624949987563 (1.45251% change)
large trace change predicted (4.01003%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008674888830445566 (4.27262% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008159178080335557 (6.12699% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0007976349713781021 (2.26616% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.000791617209769586 (0.757307% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.000782647637445911 (1.13953% change)
large trace change predicted (2.68833%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007610683319941925 (2.79576% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007448033462511633 (2.16021% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007395059081910645 (0.713792% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.000734989723014633 (0.612574% change)
large trace change predicted (1.82366%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007213725308981069 (1.87003% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006974056183843871 (3.37853% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006857685871166295 (1.68266% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006809629613303769 (0.703229% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006737065008076734 (1.07133% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006595597907065947 (2.12211% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006509089490059122 (1.32027% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006483901390092811 (0.387718% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006465124061345836 (0.290019% change)
large trace change predicted (0.811341%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006412331173909334 (0.819927% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006311167036627953 (1.59019% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006255870591604881 (0.880024% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006232810581683197 (0.369295% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006225571732045051 (0.116209% change)
large trace change predicted (0.609983%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006187620007070495 (0.611474% change)
large trace change predicted (1.73973%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006080141759784033 (1.75221% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006035622678304225 (0.734895% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005956759415962494 (1.31522% change)
large trace change predicted (2.85632%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005786878970640165 (2.89315% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005632744308316242 (2.69947% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005628726027648138 (0.0713633% change)
large trace change predicted (0.145053%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005620566909256537 (0.14506% change)
large trace change predicted (0.920718%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005569012686996278 (0.921468% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005530168479597191 (0.699947% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005523447937986331 (0.121599% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005519201577228758 (0.0769084% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005511154675307357 (0.145905% change)
large trace change predicted (0.454137%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005486399805369761 (0.450189% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005483001043197841 (0.0619681% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005481437586088394 (0.0285187% change)
large trace change predicted (0.103654%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.000547576267321679 (0.103583% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005471173775082813 (0.0838389% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005469543549641757 (0.0298011% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005468753842767918 (0.0144393% change)
large trace change predicted (0.179336%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005458908535778842 (0.180191% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005457402125965552 (0.0275992% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005454536841269865 (0.0525165% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005453725909077288 (0.0148682% change)
large trace change predicted (0.0882481%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005448913918826236 (0.088272% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005447734720807123 (0.0216433% change)
large trace change predicted (0.0981658%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005442386144210216 (0.098228% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005442276851013754 (0.00200821% change)
large trace change predicted (0.082279%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005437776922384293 (0.0827189% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005437640368084018 (0.00251125% change)
large trace change predicted (0.0242661%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.000543631878746202 (0.0243073% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005436266544387058 (0.000961006% change)
large trace change predicted (0.0202723%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.000543516378075383 (0.0202874% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005435111183287109 (0.00096773% change)
large trace change predicted (0.0121753%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005434449567638206 (0.0121737% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005434410274727657 (0.000723036% change)
large trace change predicted (0.0153686%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.000543357583724769 (0.0153559% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005433559425934892 (0.000302036% change)
large trace change predicted (0.0117648%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005432920431473641 (0.0117608% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005432896628366341 (0.000438128% change)
large trace change predicted (0.00949573%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005432380426682869 (0.00950186% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005432331257739402 (0.000905113% change)
large trace change predicted (0.00221037%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.000543221116361951 (0.00221075% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005432204746704915 (0.000118127% change)
large trace change predicted (0.00265795%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005432060353813971 (0.00265813% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005432036139747397 (0.000445763% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005431990785116193 (0.000834951% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005431979264061372 (0.000212097% change)
large trace change predicted (0.000723263%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005431939976704792 (0.000723263% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005431920389551275 (0.000360593% change)
large trace change predicted (0.00103864%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005431863971834095 (0.00103864% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005431852869783227 (0.000204388% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.000543184531099469 (0.000139157% change)
large trace change predicted (0.000337847%)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005431826959961891 (0.000337842% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005431795216100968 (0.000584407% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.000543178894063383 (0.000115532% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005431787781330419 (2.13429e-05% change)
large trace change predicted (0.000240786%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005431774702791114 (0.000240778% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005431773353971021 (2.4832e-05% change)
large trace change predicted (0.000112502%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005431767243155096 (0.000112501% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005431767142489135 (1.85328e-06% change)
large trace change predicted (2.02553e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005431766042266818 (2.02553e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005431765741613696 (5.53509e-06% change)
large trace change predicted (3.94766e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005431763597343467 (3.94765e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.000543176350304105 (1.73613e-06% change)
large trace change predicted (2.12872e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005431762346775087 (2.12871e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005431762149597989 (3.63008e-06% change)
large trace change predicted (1.89982e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005431761117660975 (1.89982e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005431761082614572 (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: 2.0197901725769043
total elapsed time for run: 2.04203200340271
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: 0.02221512794494629
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 = 0.01396294122459341 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327637332042484 (5.04101% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313625235226446 (1.06102% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01142626466081094 (13.9236% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057784268141021 (7.71149% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.0101363985755588 (4.26223% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009897078209518385 (2.3892% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008886564416138045 (10.7595% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008565145991401256 (3.68352% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.008397849844177109 (1.97248% change)
large trace change predicted (5.94936%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007175141845434898 (15.7029% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.00693988627934725 (3.33341% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006754220864517417 (2.71161% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005999068791940736 (11.8425% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005828143295087075 (2.89038% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005499745249108462 (5.79805% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.004689705950887633 (15.8996% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004548216263088865 (3.06324% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004494400626864724 (1.19027% change)
large trace change predicted (8.55502%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003852697661175374 (15.3755% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003401441414578578 (12.4413% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003342291500872484 (1.75422% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003210733866357022 (4.01517% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002909608419542651 (9.84015% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002833135702054997 (2.66328% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002795671508303086 (1.33116% change)
large trace change predicted (6.68769%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002551161055497138 (9.14599% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002146624058558601 (17.2225% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.002047335440850979 (4.73484% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.002021075958922958 (1.2909% change)
large trace change predicted (3.49827%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001943283503165571 (3.92459% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001807179549763089 (7.25798% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001763263473831708 (2.45998% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001737800359338393 (1.45459% change)
large trace change predicted (5.25882%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001633741627722456 (6.17277% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.00144111480988039 (12.5292% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001370755783732292 (5.00443% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001346317415230376 (1.79887% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001298937134873691 (3.58229% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001218627642653946 (6.37993% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.00118596176471649 (2.71696% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001174813105174837 (0.944492% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001153265562989905 (1.8511% change)
large trace change predicted (5.22719%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001087433671151787 (5.87601% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.001034298521881662 (5.00866% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.001017851035009094 (1.60295% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.001004519468266591 (1.31841% change)
large trace change predicted (3.61609%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0009665939687762763 (3.84813% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0009133188303390839 (5.66783% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.0008935369733028341 (2.18964% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.000886884006971483 (0.747348% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0008772749495150331 (1.08936% change)
large trace change predicted (2.44609%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0008552392129429354 (2.54379% change)
linmin: converged after 3 iterations.
iteration 54: trace = 0.0008389524700080418 (1.92266% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0008335405326932137 (0.64717% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0008288283473217279 (0.566924% change)
large trace change predicted (1.66737%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0008147725921408485 (1.71036% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0007900793485054786 (3.07732% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0007778204750146602 (1.56373% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0007726674683056963 (0.664695% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0007649513901897708 (1.00364% change)
linmin: converged after 3 iterations.
iteration 62: trace = 0.0007496428368886401 (2.02147% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0007398684201150611 (1.31243% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0007370458133985373 (0.38223% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.000735191859972615 (0.251855% change)
large trace change predicted (0.666574%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0007302607013482175 (0.672988% change)
large trace change predicted (1.44705%)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0007195516691339608 (1.4773% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0007127713608884197 (0.946757% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.000710117334112892 (0.373048% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0007093654384190247 (0.105939% change)
large trace change predicted (0.55778%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0007054115335778135 (0.558944% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0007043508284973863 (0.15048% change)
large trace change predicted (2.1297%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.000689387783738627 (2.14718% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0006869429879505159 (0.355263% change)
large trace change predicted (3.46402%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.000663241973040529 (3.51078% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0006461474496940278 (2.61107% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.000645382570827874 (0.118445% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0006447710424067101 (0.0947993% change)
large trace change predicted (0.757839%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0006399009415614986 (0.758186% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0006345766138954315 (0.835531% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0006342779858427185 (0.0470705% change)
large trace change predicted (0.197479%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0006330287779096562 (0.197144% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0006328503458957316 (0.028191% change)
large trace change predicted (0.477008%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0006298664595368616 (0.472614% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0006297884416290364 (0.0123872% change)
large trace change predicted (0.134896%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0006289405513807639 (0.134722% change)
linmin: converged after 2 iterations.
iteration 87: trace = 0.0006288999747736609 (0.00645179% change)
large trace change predicted (0.114108%)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0006281819528921466 (0.114236% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.000628161281270317 (0.00329076% change)
large trace change predicted (0.19915%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.0006269048027432523 (0.200225% change)
linmin: converged after 2 iterations.
iteration 91: trace = 0.0006268416995451312 (0.0100663% change)
large trace change predicted (0.0707117%)
linmin: converged after 4 iterations.
iteration 92: trace = 0.000626398031200671 (0.0708034% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0006263687788694769 (0.00467004% change)
large trace change predicted (0.100754%)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0006257376260450012 (0.100815% change)
linmin: converged after 2 iterations.
iteration 95: trace = 0.0006254476225758918 (0.0463566% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0006249214954458861 (0.0841555% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0006249085073484139 (0.00207838% change)
large trace change predicted (0.0655912%)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0006244969880426135 (0.0658744% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0006243594162144896 (0.0220316% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0006242411519433558 (0.0189435% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0006242120429852499 (0.0046632% change)
large trace change predicted (0.0168475%)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0006241068170755967 (0.0168588% change)
linmin: converged after 3 iterations.
iteration 103: trace = 0.0006240132387222155 (0.0149951% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0006240067268226032 (0.00104356% change)
large trace change predicted (0.0183095%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0006238926340019662 (0.0182856% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0006238881804011373 (0.000713843% change)
large trace change predicted (0.0117224%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0006238150679888384 (0.0117195% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0006238111858541247 (0.000622323% change)
large trace change predicted (0.0102983%)
linmin: converged after 2 iterations.
iteration 109: trace = 0.000623746886985712 (0.010308% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0006237433266613875 (0.000570798% change)
large trace change predicted (0.00283281%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0006237256523971031 (0.00283362% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0006237252184688577 (6.95704e-05% change)
large trace change predicted (0.00313033%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0006237056946706505 (0.00313024% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0006237007607950098 (0.000791061% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0006236986742964966 (0.000334536% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0006236977784986264 (0.000143627% change)
large trace change predicted (0.0013261%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0006236895075211971 (0.00132613% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0006236808514364818 (0.00138789% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0006236804477339136 (6.47291e-05% change)
large trace change predicted (0.000231625%)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0006236790031526859 (0.000231622% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0006236775448099675 (0.000233829% change)
large trace change predicted (0.000893709%)
linmin: converged after 3 iterations.
iteration 122: trace = 0.000623671971520872 (0.000893621% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.000623671928777806 (6.85345e-06% change)
large trace change predicted (0.000268391%)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0006236702549673972 (0.00026838% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0006236701591373892 (1.53655e-05% change)
large trace change predicted (0.000167545%)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0006236691142128331 (0.000167545% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0006236690826243756 (5.06494e-06% change)
large trace change predicted (5.07594e-05%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0006236687660521714 (5.07597e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0006236687434016156 (3.63182e-06% change)
large trace change predicted (3.23205e-05%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0006236685418293207 (3.23204e-05% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0006236684592828836 (1.32356e-05% change)
large trace change predicted (2.8915e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0006236682789503597 (2.89148e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0006236681122852685 (2.67234e-05% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0006236680961513038 (2.58695e-06% change)
large trace change predicted (1.20072e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0006236680212656702 (1.20073e-05% change)
large trace change predicted (3.59892e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0006236677968098786 (3.59896e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0006236677322588559 (1.03502e-05% change)
linmin: converged after 1 iterations.
iteration 138: trace = 0.0006236677264374844 (9.33409e-07% change)
Finished solving for bands 1 to 1 after 138 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508
elapsed time for k point: 1.9554553031921387
total elapsed time for run: 1.9778029918670654
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: 0.023196935653686523
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396271777714665 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684379137829 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325504767425 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.0114310737506249 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057169175360215 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011490401418842 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993337045219 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068470463845 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008517042058719481 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008326268486439636 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074915031937615 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447359053197 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006644462501839149 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865808450963307 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690963925043872 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359508692920852 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.00456060778521356 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220512570115 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098355360906 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725891995507452 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003276517110205123 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890486287238 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003089917318553374 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789088865140863 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710905416928298 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.00267421825470026 (1.36254% change)
large trace change predicted (6.80506%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438970621319509 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.00203418944010795 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181200037266 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907998595895339 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919621447166 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001694173099988268 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001646415904567996 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123158599355 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001527365710188078 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331717514930319 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.0012556059370911 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184429554499 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191709348343456 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.00111623508604669 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435601416226 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218102323885 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833228335185 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009876537371946072 (6.19867% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353331997483407 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009190902455256912 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009058432717368889 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679702053511236 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163905685662359 (6.12454% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0007981007599205427 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920806225007862 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831093799742166 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615281851118769 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007452606118040261 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007399618151306663 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007354447922588109 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.000721826536302999 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006978561882555626 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862156206211374 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814084080539918 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006741504129753939 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.000659999290976045 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006513436270981244 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488234806263591 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006469458213069393 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006416678507865772 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006315481801294535 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006260133894910059 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006237060645473944 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229820697264652 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006191860209966898 (0.611197% change)
large trace change predicted (1.75539%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083342490959136 (1.76808% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039816651693376 (0.718061% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953484401947215 (1.43967% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790995758180866 (2.76706% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005636612735800872 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632765099694987 (0.0682848% change)
large trace change predicted (0.152934%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624156809985814 (0.152942% change)
large trace change predicted (0.911932%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573060269179165 (0.912665% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.000553400616087157 (0.70323% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527443191087428 (0.118664% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.000552321941088286 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515158430655318 (0.146054% change)
large trace change predicted (0.4562%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490274322695059 (0.452215% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005486973491229925 (0.0601395% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005485468627374394 (0.0274299% change)
large trace change predicted (0.104833%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.000547972498211812 (0.104761% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475044292061455 (0.0854548% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005473523724161047 (0.0277766% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005472797511647959 (0.0132686% change)
large trace change predicted (0.180542%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462878420903345 (0.181408% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461204693934086 (0.0306429% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005458502963198951 (0.0494836% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457795958192028 (0.0129532% change)
large trace change predicted (0.0900913%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005452879826597424 (0.090116% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451433594185627 (0.0265259% change)
large trace change predicted (0.0932206%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005446351038603798 (0.0932769% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005446244809478326 (0.00195048% change)
large trace change predicted (0.0828769%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.000544170867685768 (0.0833239% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441560011641659 (0.002732% change)
large trace change predicted (0.0234907%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440279807565414 (0.0235292% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005440224863450129 (0.00100996% change)
large trace change predicted (0.0204396%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005439112184851628 (0.0204549% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005439049728337337 (0.00114829% change)
large trace change predicted (0.011884%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438403475057928 (0.0118824% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438367330668095 (0.000664616% change)
large trace change predicted (0.0154665%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0005437526970877011 (0.0154536% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005437509115470904 (0.000328374% change)
large trace change predicted (0.011514%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.000543688328493036 (0.0115102% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005436849331146804 (0.00062451% change)
large trace change predicted (0.00985792%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.00054363130372977 (0.00986454% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005436282233598913 (0.00056663% change)
large trace change predicted (0.00213147%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005436166343019083 (0.00213182% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436156475184242 (0.000181522% change)
large trace change predicted (0.00286181%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436000893744547 (0.00286202% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435987502667062 (0.000246341% change)
large trace change predicted (0.00070217%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.000543594933324994 (0.000702164% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005435930347529551 (0.000349263% change)
large trace change predicted (0.000866591%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005435883240475034 (0.000866591% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005435871532213428 (0.000215389% change)
large trace change predicted (0.000869521%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435824266276365 (0.000869523% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435804116347921 (0.000370688% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435791733245793 (0.000227807% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435778115970969 (0.000250512% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435752134200393 (0.000477978% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005435740105292077 (0.000221293% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435737678652137 (4.46423e-05% change)
large trace change predicted (0.000217273%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435725868624793 (0.000217267% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005435725178691449 (1.26926e-05% change)
large trace change predicted (0.000125579%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005435718352625699 (0.000125578% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005435718240520626 (2.06238e-06% change)
large trace change predicted (1.96195e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435717174059902 (1.96195e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435717029106299 (2.66669e-06% change)
large trace change predicted (4.27178e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435714707094334 (4.27177e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005435714592337781 (2.11116e-06% change)
large trace change predicted (2.06103e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005435713472024276 (2.06102e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435713377516353 (1.73865e-06% change)
large trace change predicted (2.10132e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435712235298028 (2.10132e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005435712197209093 (7.00717e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
elapsed time for k point: 2.0835909843444824
total elapsed time for run: 2.106916904449463
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: 0.022372007369995117
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396282863191972 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327661774820582 (5.03836% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313475705921867 (1.07424% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.0114284820601211 (13.8929% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057459146038172 (7.76156% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01012549991920006 (4.33903% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009886881715103948 (2.38471% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008866172559988101 (10.8858% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008540877170779771 (3.73751% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.008362498806993695 (2.11056% change)
large trace change predicted (6.02681%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.00712405694737991 (15.9938% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006890108051136173 (3.33875% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006697796647897047 (2.83063% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005932474498651875 (12.1189% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005760215701241404 (2.94644% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005429156740656219 (5.91738% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.0046237269309487 (16.0239% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004483952645940373 (3.06937% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004429612849637454 (1.21926% change)
large trace change predicted (8.67783%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.00378907733911895 (15.5873% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003338025666280661 (12.6574% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003278987446412594 (1.78444% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003149820606566866 (4.01838% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002848331511886508 (10.0527% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002770456695460308 (2.77194% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002733517993166782 (1.34226% change)
large trace change predicted (6.7119%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002495418664506267 (9.10699% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002090277746202956 (17.6698% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001989520888821057 (4.93931% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001963871598315264 (1.29758% change)
large trace change predicted (3.47594%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001888954636072926 (3.88894% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001749742206433316 (7.65177% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001703401511977219 (2.68397% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001678658569900026 (1.46319% change)
large trace change predicted (5.18144%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.00158038181903199 (6.03102% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001385927759958251 (13.1108% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001312106703421751 (5.47221% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001288217074223725 (1.83743% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001244812802907718 (3.42706% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001167068511293832 (6.44678% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001133684462043659 (2.90201% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001122485570880647 (0.992735% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001101592563315935 (1.8788% change)
large trace change predicted (5.3706%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001037151673681686 (6.02605% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.000984287094551253 (5.23039% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009678995947534663 (1.67889% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.000954616043814449 (1.38189% change)
large trace change predicted (3.80118%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0009167470664848677 (4.04721% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008643207672006787 (5.88706% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.0008453159364075107 (2.22326% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0008390202919889473 (0.747552% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0008298051200206901 (1.10439% change)
large trace change predicted (2.55833%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0008080190557798996 (2.66037% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007916285670272648 (2.04926% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007862346773187763 (0.683695% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007816219256371879 (0.588415% change)
large trace change predicted (1.73592%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007678304831481996 (1.78017% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0007435387853656353 (3.21453% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0007315946497581579 (1.6194% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0007266202507324377 (0.682259% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0007191451122354838 (1.03407% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0007044525977504645 (2.06414% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006952825340002982 (1.31026% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006926243539879241 (0.383049% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006907570462254813 (0.269963% change)
large trace change predicted (0.737695%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006856288673857626 (0.745166% change)
large trace change predicted (1.50311%)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006751905099784166 (1.53413% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006690887107596064 (0.907817% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006666308441649182 (0.368021% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.000665894766388288 (0.110479% change)
large trace change predicted (0.583051%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006620147964764045 (0.584373% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006593874374268467 (0.397662% change)
large trace change predicted (1.97433%)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006463944470279967 (1.99007% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0006439167969047001 (0.384039% change)
large trace change predicted (3.60299%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0006208046970247754 (3.65489% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0006051224312603996 (2.55843% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0006040729522161915 (0.173583% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0006035815759967994 (0.081377% change)
large trace change predicted (0.878809%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005982971756216459 (0.879357% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005936478812236439 (0.780119% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005932851237795748 (0.0611252% change)
large trace change predicted (0.129434%)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005925186070021892 (0.129282% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005919600556577167 (0.0943118% change)
large trace change predicted (0.482135%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005891395700540513 (0.477603% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005890401124208378 (0.0168833% change)
large trace change predicted (0.0998023%)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005884530666234435 (0.0997111% change)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005882459274655951 (0.0352068% change)
large trace change predicted (0.114927%)
linmin: converged after 4 iterations.
iteration 88: trace = 0.000587569365086292 (0.11508% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005875433052722463 (0.00443529% change)
large trace change predicted (0.146911%)
linmin: converged after 4 iterations.
iteration 90: trace = 0.000586677312479834 (0.147501% change)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005863762211877365 (0.0513346% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0005859485425554373 (0.0729625% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005859110908195298 (0.00639185% change)
large trace change predicted (0.101499%)
linmin: converged after 3 iterations.
iteration 94: trace = 0.0005853164619594189 (0.101539% change)
linmin: converged after 2 iterations.
iteration 95: trace = 0.0005852989941774052 (0.00298438% change)
large trace change predicted (0.116394%)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005846175651494939 (0.116492% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005845742989223471 (0.00740105% change)
large trace change predicted (0.0708106%)
linmin: converged after 3 iterations.
iteration 98: trace = 0.0005841585976180495 (0.0711371% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0005841389166808024 (0.00336917% change)
large trace change predicted (0.0329036%)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005839462671582482 (0.0329855% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005839312924220045 (0.00256444% change)
large trace change predicted (0.020159%)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005838134979407572 (0.0201747% change)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005837926977464793 (0.00356288% change)
large trace change predicted (0.0112663%)
linmin: converged after 3 iterations.
iteration 104: trace = 0.000583726932305375 (0.0112658% change)
linmin: converged after 2 iterations.
iteration 105: trace = 0.0005837235328225389 (0.000582377% change)
large trace change predicted (0.0172364%)
linmin: converged after 3 iterations.
iteration 106: trace = 0.0005836230367732215 (0.0172179% change)
linmin: converged after 2 iterations.
iteration 107: trace = 0.0005836125833710618 (0.00179114% change)
large trace change predicted (0.0105648%)
linmin: converged after 3 iterations.
iteration 108: trace = 0.0005835509463284342 (0.0105619% change)
linmin: converged after 2 iterations.
iteration 109: trace = 0.000583548943557194 (0.000343205% change)
large trace change predicted (0.0100451%)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005834902830011508 (0.0100529% change)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005834861943973631 (0.000700717% change)
large trace change predicted (0.00228227%)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005834728751719849 (0.00228272% change)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005834693550789713 (0.000603302% change)
large trace change predicted (0.00250098%)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005834547623777847 (0.00250105% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005834540404858172 (0.000123727% change)
large trace change predicted (0.000981181%)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005834483159081694 (0.000981158% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005834430901088519 (0.000895679% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.000583441446165329 (0.000281766% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005834400433656973 (0.000240436% change)
large trace change predicted (0.00122504%)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005834328958088951 (0.00122508% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005834306998253411 (0.000376391% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.000583430230064665 (8.0517e-05% change)
large trace change predicted (0.000409962%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005834278383109291 (0.000409948% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005834254794106187 (0.000404318% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005834241979465319 (0.000219645% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005834239135666888 (4.87432e-05% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005834235029711146 (7.03769e-05% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005834229492303538 (9.49124e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005834227993077964 (2.56971e-05% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.00058342276849174 (5.28194e-06% change)
large trace change predicted (3.57128e-05%)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005834225601355878 (3.57127e-05% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005834225295461926 (5.24309e-06% change)
large trace change predicted (2.86351e-05%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005834223624832906 (2.8635e-05% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.000583422346445021 (2.749e-06% change)
large trace change predicted (2.51074e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005834221999629322 (2.51074e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005834221953899253 (7.83825e-07% change)
Finished solving for bands 1 to 1 after 136 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282
elapsed time for k point: 1.9376351833343506
total elapsed time for run: 1.9601328372955322
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: 0.02224445343017578
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396271777790268 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684378988518 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325505801615 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143107373108108 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057169177208894 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011490408591372 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993404015133 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068607896451 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008517042221037384 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008326268739036802 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.00707491536331146 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447679345932 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006644462857291975 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865808909859432 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690964406135154 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359509169257815 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004560608209853334 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220918100116 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098767370809 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725892430871452 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003276517527282185 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890899178432 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003089917728431033 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789089266631641 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710905815890919 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002674218652981606 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438971014462638 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002034189826864542 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181583146438 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907998976159604 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919993063269 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001694173476510432 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001646416286560637 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123538393179 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001527366074325336 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.00133171788420354 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255606316228162 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184805823635 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191709709386529 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001116235433399129 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435949647599 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218450371559 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833573711885 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009876540752187157 (6.19866% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353335329191517 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009190905772535928 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009058436032386659 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679705371639546 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163908944991696 (6.12453% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0007981010810829556 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920809420285585 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831096983349729 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615285021586937 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007452609270992502 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007399621295006832 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007354451060474361 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007218268493318061 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006978564989097587 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862159288520401 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814087151919372 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006741507190451401 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006599995940020362 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006513439268160724 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488237794276031 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006469461201572879 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006416681505362096 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006315484776349438 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006260136834575379 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006237063576020632 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229823627049681 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006191863133713059 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083344730560348 (1.76809% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039819543703536 (0.71805% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953481798126799 (1.43977% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790998596931895 (2.76697% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005636615393384122 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632767884742088 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624159234211975 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573063060419916 (0.912658% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005534008786441685 (0.703233% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527445946543162 (0.118661% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005523222163979377 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515161191542267 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490276985936896 (0.452217% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005486976231178065 (0.0601381% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.000548547139690023 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005479727715169625 (0.104762% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475046960250568 (0.085456% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005473526468642252 (0.0277752% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005472800290374552 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462881158373021 (0.181409% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461207310099491 (0.0306451% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.000545850569790862 (0.0494814% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457798750599606 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005452882561277402 (0.090117% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451436125004581 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.000544635377254499 (0.0932731% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005446247544131938 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005441711389165505 (0.0833242% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441562712526624 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440282539108269 (0.0235286% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005440227592215187 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.000543911490776917 (0.020455% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005439052442093183 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438406201691981 (0.0118822% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438370058018202 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0005437529695585424 (0.0154537% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005437511838183545 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005436886018597631 (0.01151% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005436852056603425 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.000543631575192658 (0.00986474% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005436284957862889 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005436169070743091 (0.00213176% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436159200036327 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436003612565019 (0.00286213% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435990227288805 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005435952063255064 (0.000702065% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005435933071971904 (0.000349365% change)
large trace change predicted (0.000866677%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.000543588596021889 (0.000866677% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.000543587425668311 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435826997823042 (0.000869392% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435806840891893 (0.000370817% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435794453871397 (0.000227878% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435780840457415 (0.000250441% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435754863204967 (0.000477895% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005435742829779346 (0.000221376% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435740401791636 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435728593115377 (0.000217242% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005435727903467334 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005435721077078836 (0.000125584% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005435720964946919 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435719898524396 (1.96188e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435719753635353 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435717431546864 (4.27191e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005435717316753489 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005435716196483994 (2.06094e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435716102019987 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435714959753419 (2.10141e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005435714921653785 (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: 1.9615304470062256
total elapsed time for run: 1.9838941097259521
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: 0.021274089813232422
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 = 0.01396277298196031 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327673301526952 (5.0371% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313400658270512 (1.08082% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01142972906089904 (13.8764% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057309468687932 (7.78659% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01012016037562604 (4.3776% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.00988189470015354 (2.38241% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008856077207293008 (10.9491% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008528897112091316 (3.76394% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008344493547064824 (2.18573% change)
large trace change predicted (6.06381%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007099225571348929 (16.1265% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006865992373916016 (3.3402% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006670707163359137 (2.88527% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005899156603844815 (12.2762% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005725769822090341 (2.98302% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005394233041198144 (5.96289% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004591812089426319 (16.0708% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004453132510518065 (3.06646% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.00439844123983224 (1.23574% change)
large trace change predicted (8.74475%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003757498063057178 (15.7172% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.00330704962497418 (12.7524% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003248169195365587 (1.79644% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003119780808145288 (4.03233% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002818482765282546 (10.1477% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002740289464262866 (2.81333% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002703514636492719 (1.35107% change)
large trace change predicted (6.74778%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002467359186283343 (9.13406% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002062259933119868 (17.8867% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001961187580392719 (5.02417% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001935785449801616 (1.30369% change)
large trace change predicted (3.47972%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001861930146339076 (3.88946% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001721746455463286 (7.82346% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001674547855835646 (2.77942% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001650063402957579 (1.47292% change)
large trace change predicted (5.17495%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001553854523947556 (6.0057% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001358699736245246 (13.4009% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001283533375593248 (5.68961% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001259889740991772 (1.8592% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001218118516413135 (3.37135% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001141570259086005 (6.488% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001107914320236318 (2.99232% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001096696612114239 (1.01766% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001076085113472459 (1.89725% change)
large trace change predicted (5.44733%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.001012315861074462 (6.10699% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.000959684382235147 (5.33788% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.000943354237015166 (1.71622% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009300901235595421 (1.41601% change)
large trace change predicted (3.90141%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008922288348162437 (4.15529% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008402236786248237 (6.00365% change)
linmin: converged after 3 iterations.
iteration 50: trace = 0.0008215818528832003 (2.24356% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0008154335389685196 (0.751161% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0008063590029084615 (1.11907% change)
large trace change predicted (2.62064%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.000784679285628749 (2.72523% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007683178497659083 (2.10708% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007629615245081469 (0.699588% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007583989713872566 (0.599799% change)
large trace change predicted (1.77635%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007447092847867087 (1.82152% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0007205764148131018 (3.29395% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0007087748391318638 (1.65132% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0007038858193829798 (0.692172% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006965316867013873 (1.05028% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.000682131063403791 (2.08907% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.000673227250291219 (1.31387% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006706397275826058 (0.385086% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.000668766495541807 (0.279711% change)
large trace change predicted (0.773811%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006635582625713897 (0.781826% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006532764523630681 (1.56159% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006474716356827301 (0.892535% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006450938580197538 (0.367916% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006443641358044016 (0.113183% change)
large trace change predicted (0.596167%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.000640525077187094 (0.59757% change)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006341861459371877 (0.994567% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006251090623055692 (1.44161% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0006222593712666321 (0.456912% change)
large trace change predicted (3.61349%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.000599853047422651 (3.66682% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005843776721892269 (2.61357% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005836056887256307 (0.132191% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005831765145365822 (0.0735654% change)
large trace change predicted (0.940528%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005777134988161396 (0.941177% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005735210833033399 (0.728334% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005729501811560183 (0.0995929% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005724824656890279 (0.0816662% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005716748811385896 (0.141167% change)
large trace change predicted (0.473833%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005689973367348973 (0.469468% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005688164359378014 (0.031798% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005685241086948509 (0.0514054% change)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005680601706818471 (0.0816372% change)
linmin: converged after 4 iterations.
iteration 88: trace = 0.0005674452625847519 (0.108306% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005673892515685824 (0.00987122% change)
large trace change predicted (0.0466111%)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005671245107265056 (0.0466704% change)
large trace change predicted (0.149567%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005662735341356239 (0.150164% change)
linmin: converged after 4 iterations.
iteration 92: trace = 0.0005659201341644 (0.0624275% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005658242203232565 (0.0169497% change)
large trace change predicted (0.0719274%)
linmin: converged after 3 iterations.
iteration 94: trace = 0.0005654172724862558 (0.0719471% change)
linmin: converged after 2 iterations.
iteration 95: trace = 0.0005652372676748471 (0.0318408% change)
large trace change predicted (0.0910646%)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005647224630764961 (0.0911191% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005645479868322593 (0.0309007% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005643908579165657 (0.0278366% change)
linmin: converged after 2 iterations.
iteration 99: trace = 0.0005641061419382308 (0.0504593% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005639955171002747 (0.0196126% change)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005639228619948146 (0.012883% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005638118885827305 (0.0196808% change)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005638049972376717 (0.00122228% change)
large trace change predicted (0.0112905%)
linmin: converged after 3 iterations.
iteration 104: trace = 0.0005637413480909509 (0.0112899% change)
linmin: converged after 2 iterations.
iteration 105: trace = 0.0005637272110879312 (0.00250774% change)
large trace change predicted (0.0167509%)
linmin: converged after 3 iterations.
iteration 106: trace = 0.0005636328809173329 (0.0167347% change)
linmin: converged after 2 iterations.
iteration 107: trace = 0.0005636302139017894 (0.000473184% change)
large trace change predicted (0.011255%)
linmin: converged after 3 iterations.
iteration 108: trace = 0.0005635668014342314 (0.0112514% change)
linmin: converged after 2 iterations.
iteration 109: trace = 0.0005635622082828341 (0.000815018% change)
large trace change predicted (0.0100084%)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005635057669609862 (0.0100156% change)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005635037764395068 (0.00035324% change)
large trace change predicted (0.0026277%)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005634889662202358 (0.00262827% change)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005634882607326908 (0.0001252% change)
large trace change predicted (0.00291264%)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005634718475843487 (0.00291282% change)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005634714736823217 (6.63568e-05% change)
large trace change predicted (0.000998649%)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005634658467070847 (0.000998631% change)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005634622717781715 (0.000634456% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005634592314072815 (0.000539589% change)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005634586824729545 (9.74222e-05% change)
large trace change predicted (0.00131778%)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005634512572225861 (0.00131781% change)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005634495415996299 (0.000304485% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005634488966648234 (0.000114462% change)
large trace change predicted (0.000368054%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005634468229277085 (0.000368044% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005634443003502043 (0.000447706% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005634433325083359 (0.000171773% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005634428207723466 (9.0823e-05% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005634422976099442 (9.28511e-05% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005634420043699671 (5.20444e-05% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005634418467569304 (2.79733e-05% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005634418013849211 (8.05265e-06% change)
large trace change predicted (3.45757e-05%)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005634416065711369 (3.45757e-05% change)
linmin: converged after 1 iterations.
iteration 132: trace = 0.0005634415918236819 (2.61739e-06% change)
large trace change predicted (2.99597e-05%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005634414230192412 (2.99595e-05% change)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005634414058051536 (3.05517e-06% change)
large trace change predicted (2.45802e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005634412673104865 (2.45801e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005634412596039256 (1.36777e-06% change)
large trace change predicted (3.39941e-05%)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005634410680651487 (3.39945e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005634410555334601 (2.22413e-06% change)
large trace change predicted (8.09133e-06%)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005634410099435853 (8.09133e-06% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 140: trace = 0.000563441003217511 (1.19375e-06% change)
large trace change predicted (4.4635e-06%)
linmin: converged after 2 iterations.
iteration 141: trace = 0.0005634409780683253 (4.4635e-06% change)
linmin: converged after 2 iterations.
iteration 142: trace = 0.0005634409654746167 (2.23514e-06% change)
large trace change predicted (1.00797e-05%)
linmin: converged after 2 iterations.
iteration 143: trace = 0.0005634409086817542 (1.00796e-05% change)
linmin: converged after 2 iterations.
iteration 144: trace = 0.0005634408822215101 (4.69619e-06% change)
linmin: converged after 2 iterations.
iteration 145: trace = 0.0005634408794977981 (4.83407e-07% change)
Finished solving for bands 1 to 1 after 145 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486
elapsed time for k point: 1.845365047454834
total elapsed time for run: 1.8667621612548828
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: 0.020840167999267578
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396271777790279 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684378988493 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325505801896 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143107373087056 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.0105716917720197 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011490408595862 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993404167896 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068608249009 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008517042221226631 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008326268739399675 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074915363949338 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447679850567 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006644462857852558 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865808909947778 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690964406063527 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359509169335739 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004560608210191721 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220918551189 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098767771778 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725892430793943 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003276517527378307 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890899324664 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003089917728461154 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789089266770034 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.00271090581614276 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002674218653196001 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438971014238784 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002034189826722568 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181583173824 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001907998976199941 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919993046496 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001694173476539198 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001646416286639807 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123538454886 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.0015273660742384 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331717884091911 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255606316197076 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184805805843 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191709709356282 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001116235433397763 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435949683927 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218450411151 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833573729051 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009876540752039222 (6.19866% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353335329453021 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009190905772947226 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009058436032717036 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679705371620204 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163908945098342 (6.12453% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0007981010811138573 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920809420618214 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831096983610429 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615285021806699 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007452609271391329 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007399621295468081 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007354451060916182 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007218268493620257 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006978564989355831 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862159288848806 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814087152252336 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.000674150719073446 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006599995940308902 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006513439268552154 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488237794697233 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006469461201987571 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006416681505726042 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006315484776710645 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006260136834987559 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006237063576440872 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229823627468336 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006191863134131451 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083344731421098 (1.76809% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039819544211147 (0.71805% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953481801856599 (1.43977% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790998597530178 (2.76697% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005636615393937976 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632767885222335 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624159234887405 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573063060985239 (0.912658% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005534008786990929 (0.703233% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527445947014258 (0.118661% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.000552322216445164 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515161192019065 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490276986459375 (0.452217% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005486976231660303 (0.0601381% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005485471397362772 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005479727715647271 (0.104762% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475046960766316 (0.085456% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005473526469117029 (0.0277752% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005472800290826607 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462881158843215 (0.181409% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461207310638469 (0.0306451% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005458505698378529 (0.0494814% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457798751033381 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.000545288256175002 (0.090117% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451436125592623 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005446353773013098 (0.0932731% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005446247544599609 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.0005441711389643854 (0.0833242% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441562713011943 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440282539577455 (0.0235286% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005440227592686041 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005439114908242292 (0.020455% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005439052442571621 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438406202163108 (0.0118822% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438370058488941 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.000543752969605734 (0.0154537% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005437511838656576 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005436886019064124 (0.01151% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005436852057075105 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005436315752403894 (0.00986474% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005436284958334678 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005436169071213004 (0.00213176% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436159200508085 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436003613040285 (0.00286213% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435990227760772 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005435952063723431 (0.000702065% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005435933072443747 (0.000349365% change)
large trace change predicted (0.000866676%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005435885960693559 (0.000866676% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005435874257155064 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435826998290416 (0.000869392% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435806841363679 (0.000370817% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435794454345423 (0.000227878% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435780840929133 (0.000250441% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435754863673889 (0.000477895% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.000543574283025115 (0.000221376% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435740402264217 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435728593587195 (0.000217242% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005435727903938972 (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 = 0.0005435720965418716 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435719898996194 (1.96188e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435719754107097 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435717432018648 (4.27191e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005435717317225318 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005435716196955803 (2.06094e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435716102491758 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435714960225187 (2.10141e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005435714922125636 (7.00911e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
elapsed time for k point: 1.7857756614685059
total elapsed time for run: 1.8067388534545898
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: 0.022458791732788086
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 = 0.01396274532346681 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327678895732442 (5.03648% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313363091101133 (1.0841% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.01143038892843357 (13.8678% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057238111590396 (7.79909% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011752134392836 (4.39693% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009879432781382317 (2.38125% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008851061110265412 (10.9807% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008522952954569507 (3.777% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.008335408563637261 (2.22494% change)
large trace change predicted (6.08184%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007087003149811437 (16.1895% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006854146056769756 (3.34057% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006657474929944862 (2.91114% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005882487151458949 (12.3603% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005708413869126732 (3.00362% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005376848409038072 (5.98209% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004576121725483166 (16.0902% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004438061817300529 (3.06317% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004383166020863904 (1.24463% change)
large trace change predicted (8.78014%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003741707625962468 (15.79% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003291730464672096 (12.7954% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003232963613330976 (1.80137% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.003104832650860507 (4.04339% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002803732823570167 (10.192% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002725499795014969 (2.8298% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002688778927662695 (1.35645% change)
large trace change predicted (6.77346%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002453217044062932 (9.16227% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002048239458495249 (17.9932% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001947146666345405 (5.06048% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.001921857262743795 (1.30728% change)
large trace change predicted (3.48607%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001848427637753061 (3.89518% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.001707910804402407 (7.90233% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001660392701795978 (2.82149% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.00163601239841142 (1.47921% change)
large trace change predicted (5.18152%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001540609388946792 (6.00657% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001345179667105351 (13.5443% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001269484311269727 (5.79006% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001245954740368374 (1.87081% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001204877461275777 (3.35211% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001128884041444548 (6.51253% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001095136827422327 (3.03479% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001083916132202665 (1.02987% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001063426119037512 (1.90841% change)
large trace change predicted (5.48869%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009999651606262207 (6.15113% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009474780948363509 (5.39036% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009311870209754286 (1.73432% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009179318604942043 (1.43367% change)
large trace change predicted (3.95373%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008800680624236033 (4.21177% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008282748496241889 (6.06356% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.0008098098650128671 (2.25446% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.000803727907667054 (0.753866% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007947097633189683 (1.12837% change)
large trace change predicted (2.65329%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007730802283003459 (2.75924% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007567571125824832 (2.13397% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007514269868695347 (0.706827% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007468879959671537 (0.605879% change)
large trace change predicted (1.79868%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.00073323829387571 (1.8444% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0007091847744003555 (3.33515% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006974601200729702 (1.66704% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006926125256631087 (0.697459% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.0006853107694293103 (1.05982% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.0006710414600158428 (2.10407% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006622634864719859 (1.31672% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.000659709824279411 (0.386341% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006578341892949849 (0.284717% change)
large trace change predicted (0.792077%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006525900725874763 (0.800369% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.000642388961685999 (1.57549% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006367222354566554 (0.886041% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.0006343807372973155 (0.36842% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006336539383712605 (0.114634% change)
large trace change predicted (0.602878%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006298361502404347 (0.604324% change)
large trace change predicted (1.59666%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006197950784855538 (1.60705% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006145237767925286 (0.854123% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.000609435291222769 (0.83148% change)
large trace change predicted (3.28752%)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005894510813689335 (3.3338% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.000573895998218523 (2.67419% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005734237191076151 (0.0823274% change)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005728368909269688 (0.10239% change)
large trace change predicted (0.937866%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005674860400195972 (0.93848% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005634781462050233 (0.708757% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005628279215195455 (0.115461% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005624017587803822 (0.0757468% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005615784927467394 (0.146491% change)
large trace change predicted (0.462977%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005590077500580899 (0.458821% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005587368022629768 (0.0484812% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005585444875551931 (0.0344255% change)
large trace change predicted (0.09806%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005579974550874225 (0.0979869% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005574604311120414 (0.0962876% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005573550114442508 (0.0189125% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005572367121219963 (0.0212274% change)
large trace change predicted (0.173746%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005562649121706465 (0.174548% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.000556015545082571 (0.0448389% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.0005558214414858337 (0.0349158% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005556746092447472 (0.0264207% change)
large trace change predicted (0.0768704%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005552475305168484 (0.0768872% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005549565391504256 (0.0524212% change)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005545759625785963 (0.0686012% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.0005545580258696537 (0.00323436% change)
large trace change predicted (0.0788885%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.00055411846426551 (0.0792948% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005540827416458937 (0.00644696% change)
large trace change predicted (0.0221441%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005539598645882885 (0.0221791% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005539509641368791 (0.00160671% change)
large trace change predicted (0.0194904%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005538429308002455 (0.0195042% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005538212510818653 (0.00391449% change)
large trace change predicted (0.00948118%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005537687493456982 (0.00948036% change)
linmin: converged after 3 iterations.
iteration 106: trace = 0.0005537545264203815 (0.00256842% change)
large trace change predicted (0.0139068%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.0005536775826951027 (0.0138959% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.000553669971418078 (0.00137469% change)
large trace change predicted (0.0109183%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005536095419715826 (0.0109149% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005536073766916744 (0.000391121% change)
large trace change predicted (0.00997282%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005535521304989175 (0.00997981% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005535500119166871 (0.000382726% change)
large trace change predicted (0.00221526%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005535377473214596 (0.00221565% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005535371237610948 (0.00011265% change)
large trace change predicted (0.00299101%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005535205665764986 (0.00299121% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005535202706804489 (5.34571e-05% change)
large trace change predicted (0.00100099%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005535147301455126 (0.00100097% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005535144229078263 (5.55067e-05% change)
large trace change predicted (0.00104748%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005535086249695093 (0.00104748% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005535083269111632 (5.38489e-05% change)
large trace change predicted (0.00126845%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005535013059522839 (0.00126845% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005535011997656965 (1.91845e-05% change)
large trace change predicted (0.000431366%)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005534988122002893 (0.000431358% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005534985693850606 (4.38692e-05% change)
large trace change predicted (0.000714089%)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005534946171050815 (0.000714057% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005534945841831557 (5.94801e-06% change)
large trace change predicted (0.000246508%)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005534932198247533 (0.000246499% change)
linmin: converged after 2 iterations.
iteration 128: trace = 0.000553493132170315 (1.58366e-05% change)
large trace change predicted (0.000135235%)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005534923836579039 (0.000135234% change)
linmin: converged after 2 iterations.
iteration 130: trace = 0.0005534923401820729 (7.85482e-06% change)
large trace change predicted (2.09979e-05%)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005534922239600058 (2.0998e-05% change)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005534922081138478 (2.86294e-06% change)
large trace change predicted (4.04808e-05%)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005534919840565487 (4.04807e-05% change)
linmin: converged after 1 iterations.
iteration 134: trace = 0.0005534919663682659 (3.19576e-06% change)
large trace change predicted (2.36162e-05%)
linmin: converged after 2 iterations.
iteration 135: trace = 0.0005534918356550618 (2.36161e-05% change)
linmin: converged after 2 iterations.
iteration 136: trace = 0.0005534918255761885 (1.82096e-06% change)
large trace change predicted (2.26881e-05%)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005534916999995888 (2.26881e-05% change)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005534916950358841 (8.96798e-07% change)
Finished solving for bands 1 to 1 after 138 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822
elapsed time for k point: 1.7718098163604736
total elapsed time for run: 1.7943987846374512
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: 0.02042841911315918
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396271777790278 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684378988491 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325505801898 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.0114310737308695 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057169177201646 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011490408595845 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993404164151 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068608242092 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008517042221224369 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.00832626873939284 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074915363951925 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447679848838 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006644462857865458 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865808909926261 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690964406031785 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359509169313643 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004560608210186273 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220918553953 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098767771484 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725892430766089 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003276517527371248 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890899321256 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.00308991772844423 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789089266756519 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710905816141527 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002674218653192085 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438971014189333 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002034189826698968 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181583176571 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.00190799897620217 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919993028385 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.00169417347652804 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001646416286642192 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123538455565 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001527366074215025 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331717884077404 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255606316203367 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184805812728 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191709709351213 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001116235433389698 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435949684311 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218450412578 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833573725574 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009876540751933365 (6.19866% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353335329439094 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009190905772966321 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009058436032717826 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679705371545801 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163908945060646 (6.12453% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.000798101081114812 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920809420631715 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831096983602546 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615285021775451 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007452609271389511 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007399621295476514 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007354451060917822 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007218268493590878 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006978564989339716 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862159288864979 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814087152271418 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.000674150719073478 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.000659999594029403 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006513439268553819 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488237794704081 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006469461201992004 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006416681505717652 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006315484776703385 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006260136834994107 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.000623706357644955 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229823627476594 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006191863134140179 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083344731425919 (1.76809% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039819544212199 (0.71805% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953481801851204 (1.43977% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790998597526523 (2.76697% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005636615393937226 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632767885226015 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624159234891336 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573063060984972 (0.912658% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005534008786979551 (0.703233% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527445947018674 (0.118661% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005523222164449861 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515161192022787 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490276986448244 (0.452217% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005486976231663844 (0.0601381% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005485471397361475 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005479727715651105 (0.104762% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475046960760042 (0.085456% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005473526469120577 (0.0277752% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005472800290825545 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462881158847318 (0.181409% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461207310630182 (0.0306451% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.000545850569838275 (0.0494814% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457798751032034 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005452882561753553 (0.090117% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451436125577784 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005446353773016382 (0.0932731% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.000544624754460285 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.000544171138964733 (0.0833242% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441562713014224 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440282539580667 (0.0235286% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005440227592689511 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005439114908245811 (0.020455% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005439052442574365 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438406202166483 (0.0118822% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438370058492213 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.000543752969606081 (0.0154537% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005437511838659896 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005436886019066989 (0.01151% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005436852057078555 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005436315752406818 (0.00986474% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005436284958338378 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005436169071216281 (0.00213176% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436159200511556 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436003613043309 (0.00286213% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435990227764261 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005435952063726551 (0.000702065% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005435933072447255 (0.000349365% change)
large trace change predicted (0.000866676%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005435885960696665 (0.000866677% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005435874257158562 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435826998293409 (0.000869392% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435806841367159 (0.000370817% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435794454348627 (0.000227878% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435780840932716 (0.000250441% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435754863677042 (0.000477895% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005435742830254604 (0.000221376% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435728593590648 (0.000217242% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.000543572107755412 (0.000125584% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.00054357173172288 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.000543571619695929 (2.06094e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005435714922129105 (7.00912e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
elapsed time for k point: 1.7022228240966797
total elapsed time for run: 1.7227673530578613
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: 0.02116703987121582
solve_kpoint (0.5,0.5,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
Solving for bands 1 to 1...
near maximum in trace
linmin: converged after 7 iterations.
iteration 1: trace = 0.01396271777790278 (199.998% change)
linmin: converged after 7 iterations.
iteration 2: trace = 0.01327684378988491 (5.03587% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.01313325505801898 (1.08738% change)
near maximum in trace
linmin: converged after 6 iterations.
iteration 4: trace = 0.0114310737308695 (13.859% change)
linmin: converged after 8 iterations.
iteration 5: trace = 0.01057169177201646 (7.81158% change)
linmin: converged after 6 iterations.
iteration 6: trace = 0.01011490408595845 (4.41627% change)
linmin: converged after 6 iterations.
iteration 7: trace = 0.009876993404164151 (2.38007% change)
linmin: converged after 8 iterations.
iteration 8: trace = 0.008846068608242092 (11.0124% change)
linmin: converged after 6 iterations.
iteration 9: trace = 0.008517042221224369 (3.78995% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.00832626873939284 (2.26527% change)
large trace change predicted (6.09955%)
linmin: converged after 8 iterations.
iteration 11: trace = 0.007074915363951925 (16.2501% change)
linmin: converged after 5 iterations.
iteration 12: trace = 0.006842447679848838 (3.34069% change)
linmin: converged after 5 iterations.
iteration 13: trace = 0.006644462857865458 (2.93596% change)
linmin: converged after 8 iterations.
iteration 14: trace = 0.005865808909926261 (12.4482% change)
linmin: converged after 5 iterations.
iteration 15: trace = 0.005690964406031785 (3.02584% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.005359509169313643 (5.99893% change)
linmin: converged after 6 iterations.
iteration 17: trace = 0.004560608210186273 (16.1067% change)
linmin: converged after 4 iterations.
iteration 18: trace = 0.004423220918553953 (3.05855% change)
linmin: converged after 3 iterations.
iteration 19: trace = 0.004368098767771484 (1.25401% change)
large trace change predicted (8.81704%)
linmin: converged after 6 iterations.
iteration 20: trace = 0.003725892430766089 (15.8687% change)
linmin: converged after 6 iterations.
iteration 21: trace = 0.003276517527371248 (12.8349% change)
linmin: converged after 3 iterations.
iteration 22: trace = 0.003217890899321256 (1.80545% change)
linmin: converged after 5 iterations.
iteration 23: trace = 0.00308991772844423 (4.05761% change)
linmin: converged after 6 iterations.
iteration 24: trace = 0.002789089266756519 (10.234% change)
linmin: converged after 4 iterations.
iteration 25: trace = 0.002710905816141527 (2.84304% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.002674218653192085 (1.36254% change)
large trace change predicted (6.80505%)
linmin: converged after 5 iterations.
iteration 27: trace = 0.002438971014189333 (9.2016% change)
linmin: converged after 6 iterations.
iteration 28: trace = 0.002034189826698968 (18.0982% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.001933181583176571 (5.09195% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.00190799897620217 (1.31119% change)
large trace change predicted (3.49571%)
linmin: converged after 4 iterations.
iteration 31: trace = 0.001834919993028385 (3.90492% change)
linmin: converged after 5 iterations.
iteration 32: trace = 0.00169417347652804 (7.97636% change)
linmin: converged after 3 iterations.
iteration 33: trace = 0.001646416286642192 (2.85921% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.001622123538455565 (1.48646% change)
large trace change predicted (5.19533%)
linmin: converged after 4 iterations.
iteration 35: trace = 0.001527366074215025 (6.01732% change)
linmin: converged after 5 iterations.
iteration 36: trace = 0.001331717884077404 (13.6861% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.001255606316203367 (5.88342% change)
linmin: converged after 3 iterations.
iteration 38: trace = 0.001232184805812728 (1.88292% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.001191709709351213 (3.33967% change)
linmin: converged after 4 iterations.
iteration 40: trace = 0.001116235433389698 (6.54039% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.001082435949684311 (3.07454% change)
linmin: converged after 4 iterations.
iteration 42: trace = 0.001071218450412578 (1.04172% change)
linmin: converged after 3 iterations.
iteration 43: trace = 0.001050833573725574 (1.92124% change)
large trace change predicted (5.53279%)
linmin: converged after 4 iterations.
iteration 44: trace = 0.0009876540751933365 (6.19866% change)
linmin: converged after 4 iterations.
iteration 45: trace = 0.0009353335329439094 (5.44159% change)
linmin: converged after 3 iterations.
iteration 46: trace = 0.0009190905772966321 (1.75181% change)
linmin: converged after 4 iterations.
iteration 47: trace = 0.0009058436032717826 (1.45178% change)
large trace change predicted (4.00783%)
linmin: converged after 3 iterations.
iteration 48: trace = 0.0008679705371545801 (4.27024% change)
linmin: converged after 3 iterations.
iteration 49: trace = 0.0008163908945060646 (6.12453% change)
linmin: converged after 4 iterations.
iteration 50: trace = 0.000798101081114812 (2.26571% change)
linmin: converged after 4 iterations.
iteration 51: trace = 0.0007920809420631715 (0.757164% change)
linmin: converged after 4 iterations.
iteration 52: trace = 0.0007831096983602546 (1.13907% change)
large trace change predicted (2.68696%)
linmin: converged after 3 iterations.
iteration 53: trace = 0.0007615285021775451 (2.79434% change)
linmin: converged after 4 iterations.
iteration 54: trace = 0.0007452609271389511 (2.15924% change)
linmin: converged after 4 iterations.
iteration 55: trace = 0.0007399621295476514 (0.713536% change)
linmin: converged after 4 iterations.
iteration 56: trace = 0.0007354451060917822 (0.612309% change)
large trace change predicted (1.82266%)
linmin: converged after 4 iterations.
iteration 57: trace = 0.0007218268493590878 (1.86901% change)
linmin: converged after 3 iterations.
iteration 58: trace = 0.0006978564989339716 (3.37686% change)
linmin: converged after 4 iterations.
iteration 59: trace = 0.0006862159288864979 (1.68208% change)
linmin: converged after 4 iterations.
iteration 60: trace = 0.0006814087152271418 (0.703002% change)
linmin: converged after 4 iterations.
iteration 61: trace = 0.000674150719073478 (1.07085% change)
linmin: converged after 4 iterations.
iteration 62: trace = 0.000659999594029403 (2.12137% change)
linmin: converged after 4 iterations.
iteration 63: trace = 0.0006513439268553819 (1.32012% change)
linmin: converged after 4 iterations.
iteration 64: trace = 0.0006488237794704081 (0.387665% change)
linmin: converged after 4 iterations.
iteration 65: trace = 0.0006469461201992004 (0.289814% change)
large trace change predicted (0.810595%)
linmin: converged after 4 iterations.
iteration 66: trace = 0.0006416681505717652 (0.81917% change)
linmin: converged after 4 iterations.
iteration 67: trace = 0.0006315484776703385 (1.58962% change)
linmin: converged after 4 iterations.
iteration 68: trace = 0.0006260136834994107 (0.880242% change)
linmin: converged after 4 iterations.
iteration 69: trace = 0.000623706357644955 (0.369255% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 0.0006229823627476594 (0.116147% change)
large trace change predicted (0.609708%)
linmin: converged after 3 iterations.
iteration 71: trace = 0.0006191863134140179 (0.611197% change)
large trace change predicted (1.7554%)
linmin: converged after 3 iterations.
iteration 72: trace = 0.0006083344731425919 (1.76809% change)
linmin: converged after 3 iterations.
iteration 73: trace = 0.0006039819544212199 (0.71805% change)
linmin: converged after 3 iterations.
iteration 74: trace = 0.0005953481801851204 (1.43977% change)
linmin: converged after 3 iterations.
iteration 75: trace = 0.0005790998597526523 (2.76697% change)
linmin: converged after 4 iterations.
iteration 76: trace = 0.0005636615393937226 (2.70193% change)
linmin: converged after 2 iterations.
iteration 77: trace = 0.0005632767885226015 (0.0682825% change)
large trace change predicted (0.15294%)
linmin: converged after 3 iterations.
iteration 78: trace = 0.0005624159234891336 (0.152948% change)
large trace change predicted (0.911925%)
linmin: converged after 3 iterations.
iteration 79: trace = 0.0005573063060984972 (0.912658% change)
linmin: converged after 3 iterations.
iteration 80: trace = 0.0005534008786979551 (0.703233% change)
linmin: converged after 3 iterations.
iteration 81: trace = 0.0005527445947018674 (0.118661% change)
linmin: converged after 3 iterations.
iteration 82: trace = 0.0005523222164449861 (0.0764439% change)
linmin: converged after 3 iterations.
iteration 83: trace = 0.0005515161192022787 (0.146053% change)
large trace change predicted (0.456202%)
linmin: converged after 3 iterations.
iteration 84: trace = 0.0005490276986448244 (0.452217% change)
linmin: converged after 3 iterations.
iteration 85: trace = 0.0005486976231663844 (0.0601381% change)
linmin: converged after 3 iterations.
iteration 86: trace = 0.0005485471397361475 (0.0274293% change)
large trace change predicted (0.104834%)
linmin: converged after 3 iterations.
iteration 87: trace = 0.0005479727715651105 (0.104762% change)
linmin: converged after 2 iterations.
iteration 88: trace = 0.0005475046960760042 (0.085456% change)
linmin: converged after 2 iterations.
iteration 89: trace = 0.0005473526469120577 (0.0277752% change)
linmin: converged after 2 iterations.
iteration 90: trace = 0.0005472800290825545 (0.013268% change)
large trace change predicted (0.180543%)
linmin: converged after 4 iterations.
iteration 91: trace = 0.0005462881158847318 (0.181409% change)
linmin: converged after 2 iterations.
iteration 92: trace = 0.0005461207310630182 (0.0306451% change)
linmin: converged after 2 iterations.
iteration 93: trace = 0.000545850569838275 (0.0494814% change)
linmin: converged after 2 iterations.
iteration 94: trace = 0.0005457798751032034 (0.0129521% change)
large trace change predicted (0.0900923%)
linmin: converged after 3 iterations.
iteration 95: trace = 0.0005452882561753553 (0.090117% change)
linmin: converged after 2 iterations.
iteration 96: trace = 0.0005451436125577784 (0.0265296% change)
large trace change predicted (0.0932169%)
linmin: converged after 2 iterations.
iteration 97: trace = 0.0005446353773016382 (0.0932731% change)
linmin: converged after 2 iterations.
iteration 98: trace = 0.000544624754460285 (0.00195047% change)
large trace change predicted (0.0828773%)
linmin: converged after 3 iterations.
iteration 99: trace = 0.000544171138964733 (0.0833242% change)
linmin: converged after 2 iterations.
iteration 100: trace = 0.0005441562713014224 (0.0027322% change)
large trace change predicted (0.0234901%)
linmin: converged after 2 iterations.
iteration 101: trace = 0.0005440282539580667 (0.0235286% change)
linmin: converged after 2 iterations.
iteration 102: trace = 0.0005440227592689511 (0.00101001% change)
large trace change predicted (0.0204397%)
linmin: converged after 2 iterations.
iteration 103: trace = 0.0005439114908245811 (0.020455% change)
linmin: converged after 2 iterations.
iteration 104: trace = 0.0005439052442574365 (0.00114846% change)
large trace change predicted (0.0118837%)
linmin: converged after 3 iterations.
iteration 105: trace = 0.0005438406202166483 (0.0118822% change)
linmin: converged after 2 iterations.
iteration 106: trace = 0.0005438370058492213 (0.000664603% change)
large trace change predicted (0.0154666%)
linmin: converged after 3 iterations.
iteration 107: trace = 0.000543752969606081 (0.0154537% change)
linmin: converged after 2 iterations.
iteration 108: trace = 0.0005437511838659896 (0.000328411% change)
large trace change predicted (0.0115138%)
linmin: converged after 3 iterations.
iteration 109: trace = 0.0005436886019066989 (0.01151% change)
linmin: converged after 2 iterations.
iteration 110: trace = 0.0005436852057078555 (0.000624661% change)
large trace change predicted (0.00985811%)
linmin: converged after 2 iterations.
iteration 111: trace = 0.0005436315752406818 (0.00986474% change)
linmin: converged after 2 iterations.
iteration 112: trace = 0.0005436284958338378 (0.000566453% change)
large trace change predicted (0.0021314%)
linmin: converged after 2 iterations.
iteration 113: trace = 0.0005436169071216281 (0.00213176% change)
linmin: converged after 2 iterations.
iteration 114: trace = 0.0005436159200511556 (0.000181575% change)
large trace change predicted (0.00286192%)
linmin: converged after 2 iterations.
iteration 115: trace = 0.0005436003613043309 (0.00286213% change)
linmin: converged after 2 iterations.
iteration 116: trace = 0.0005435990227764261 (0.000246234% change)
large trace change predicted (0.000702071%)
linmin: converged after 2 iterations.
iteration 117: trace = 0.0005435952063726551 (0.000702065% change)
linmin: converged after 2 iterations.
iteration 118: trace = 0.0005435933072447255 (0.000349365% change)
large trace change predicted (0.000866676%)
linmin: converged after 2 iterations.
iteration 119: trace = 0.0005435885960696665 (0.000866677% change)
linmin: converged after 2 iterations.
iteration 120: trace = 0.0005435874257158562 (0.000215302% change)
large trace change predicted (0.00086939%)
linmin: converged after 2 iterations.
iteration 121: trace = 0.0005435826998293409 (0.000869392% change)
linmin: converged after 2 iterations.
iteration 122: trace = 0.0005435806841367159 (0.000370817% change)
linmin: converged after 2 iterations.
iteration 123: trace = 0.0005435794454348627 (0.000227878% change)
linmin: converged after 2 iterations.
iteration 124: trace = 0.0005435780840932716 (0.000250441% change)
linmin: converged after 2 iterations.
iteration 125: trace = 0.0005435754863677042 (0.000477895% change)
linmin: converged after 2 iterations.
iteration 126: trace = 0.0005435742830254604 (0.000221376% change)
linmin: converged after 2 iterations.
iteration 127: trace = 0.0005435740402267594 (4.46671e-05% change)
large trace change predicted (0.000217248%)
linmin: converged after 2 iterations.
iteration 128: trace = 0.0005435728593590648 (0.000217242% change)
linmin: converged after 2 iterations.
iteration 129: trace = 0.0005435727903942399 (1.26873e-05% change)
large trace change predicted (0.000125585%)
linmin: converged after 2 iterations.
iteration 130: trace = 0.000543572107755412 (0.000125584% change)
linmin: converged after 2 iterations.
iteration 131: trace = 0.0005435720965422173 (2.06287e-06% change)
large trace change predicted (1.96188e-05%)
linmin: converged after 2 iterations.
iteration 132: trace = 0.0005435719898999652 (1.96188e-05% change)
linmin: converged after 2 iterations.
iteration 133: trace = 0.0005435719754110567 (2.6655e-06% change)
large trace change predicted (4.27192e-05%)
linmin: converged after 2 iterations.
iteration 134: trace = 0.0005435717432022136 (4.27191e-05% change)
linmin: converged after 2 iterations.
iteration 135: trace = 0.00054357173172288 (2.11183e-06% change)
large trace change predicted (2.06095e-05%)
linmin: converged after 2 iterations.
iteration 136: trace = 0.000543571619695929 (2.06094e-05% change)
linmin: converged after 2 iterations.
iteration 137: trace = 0.0005435716102495204 (1.73784e-06% change)
large trace change predicted (2.10141e-05%)
linmin: converged after 2 iterations.
iteration 138: trace = 0.0005435714960228689 (2.10141e-05% change)
linmin: converged after 2 iterations.
iteration 139: trace = 0.0005435714922129105 (7.00912e-07% change)
Finished solving for bands 1 to 1 after 139 iterations.
tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
.elapsed time for k point: 1.7496423721313477
total elapsed time for run: 1.770960807800293
done
/tmp/meepNmMUdV/test_point_defect_state-0: 132.76s
/tmp/meepNmMUdV/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: 0.003803253173828125
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.29032373428344727
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.9681696891784668
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.20728754997253418
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.19184231758117676
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.2226405143737793
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.34775733947753906
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.26312994956970215
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.22313904762268066
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.18987345695495605
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.18366265296936035
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
/build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword
res[i] = np.array(ExH(e[i], h[i]))
elapsed time for k point: 0.18286800384521484
Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b01.te.h5...
Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b02.te.h5...
Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b03.te.h5...
Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b04.te.h5...
Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b05.te.h5...
Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b06.te.h5...
Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b07.te.h5...
Outputting fields to /tmp/meepNmMUdV/test_poynting-0-flux.v.k11.b08.te.h5...
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.14541053771972656
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.16706609725952148
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.22968029975891113
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.2680659294128418
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
..elapsed time for k point: 0.5126950740814209
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 4.89108943939209
done
/tmp/meepNmMUdV/test_poynting-0: 4.90s
/tmp/meepNmMUdV/test_resolution-0
========================
/tmp/meepNmMUdV/test_resolution-0: 0.00s
/tmp/meepNmMUdV/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: 0.003817319869995117
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.29332756996154785
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.9409806728363037
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.20573067665100098
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.19150280952453613
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.22235417366027832
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.3461751937866211
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.2588670253753662
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.2213912010192871
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.1907508373260498
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.1850111484527588
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.18214106559753418
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.14441537857055664
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.16805768013000488
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.22997021675109863
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.26992177963256836
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
.elapsed time for k point: 0.5202524662017822
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 4.57701849937439
done
/tmp/meepNmMUdV/test_run_te-0: 4.58s
/tmp/meepNmMUdV/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: 0.003021717071533203
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 28.19057071787519 (190.727% change)
linmin: converged after 7 iterations.
iteration 2: trace = 10.91238426133213 (88.3728% change)
linmin: converged after 5 iterations.
iteration 3: trace = 10.06024105139971 (8.12624% change)
linmin: converged after 4 iterations.
iteration 4: trace = 10.00201229636662 (0.580481% change)
linmin: converged after 4 iterations.
iteration 5: trace = 10.00007845652676 (0.0193364% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.0000012998729 (0.000771563% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.00000004221536 (1.25766e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.00000000175005 (4.04653e-07% change)
Finished solving for bands 2 to 8 after 8 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421
elapsed time for k point: 0.04884815216064453
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
near maximum in trace
linmin: converged after 5 iterations.
iteration 1: trace = 9.880000133291681 (2.3702% change)
linmin: converged after 2 iterations.
iteration 2: trace = 9.880000004055375 (1.30806e-06% change)
Finished solving for bands 1 to 8 after 2 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661
elapsed time for k point: 0.02163410186767578
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 9.920000000339346 (3.76491e-08% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205
elapsed time for k point: 0.013120889663696289
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.12000000005403 (2.56717e-09% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012
elapsed time for k point: 0.01376652717590332
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.48000000000711 (3.43847e-10% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047
elapsed time for k point: 0.0133056640625
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.99999999989867 (8.98061e-10% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278
elapsed time for k point: 0.013605833053588867
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: 0.020853281021118164
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 10.72763995197106 (1.77719% change)
linmin: converged after 2 iterations.
iteration 2: trace = 10.72763986668089 (7.95051e-07% change)
Finished solving for bands 1 to 8 after 2 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611
elapsed time for k point: 0.021490097045898438
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 10.85836182261743 (1.70315% change)
linmin: converged after 4 iterations.
iteration 2: trace = 10.75311149831233 (0.974023% change)
linmin: converged after 4 iterations.
iteration 3: trace = 10.72171121560705 (0.292438% change)
linmin: converged after 4 iterations.
iteration 4: trace = 10.7201429283311 (0.0146283% change)
linmin: converged after 2 iterations.
iteration 5: trace = 10.72002114849368 (0.001136% change)
linmin: converged after 2 iterations.
iteration 6: trace = 10.72000263415468 (0.000172708% change)
linmin: converged after 2 iterations.
iteration 7: trace = 10.72000060484828 (1.89301e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 10.72000017693059 (3.99177e-06% change)
Finished solving for bands 1 to 8 after 8 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971
elapsed time for k point: 0.06755661964416504
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: 0.013940572738647461
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: 0.013231992721557617
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 11.04529896792296 (2.80917% change)
linmin: converged after 2 iterations.
iteration 2: trace = 11.04529779076751 (1.06575e-05% change)
linmin: converged after 2 iterations.
iteration 3: trace = 11.04529660546839 (1.07313e-05% change)
linmin: converged after 2 iterations.
iteration 4: trace = 11.04529541192927 (1.08059e-05% change)
linmin: converged after 2 iterations.
iteration 5: trace = 11.04529421005224 (1.08813e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 11.04529299973778 (1.09577e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 11.04529178088465 (1.1035e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 11.0452905533899 (1.11133e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 11.04528931714884 (1.11925e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 11.04528807205499 (1.12726e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 11.04528681799998 (1.13538e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 11.04528555487364 (1.14359e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 11.04528428256385 (1.1519e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 11.04528300095649 (1.16032e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 11.04528170993553 (1.16884e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 11.04528040938279 (1.17747e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 11.04527909917806 (1.18621e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 11.04527777919899 (1.19506e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 11.04527644932098 (1.20402e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 11.04527510941722 (1.2131e-05% change)
linmin: converged after 2 iterations.
iteration 21: trace = 11.04527375935867 (1.2223e-05% change)
linmin: converged after 2 iterations.
iteration 22: trace = 11.04527239901385 (1.23161e-05% change)
linmin: converged after 2 iterations.
iteration 23: trace = 11.04527102824892 (1.24104e-05% change)
linmin: converged after 2 iterations.
iteration 24: trace = 11.04526964692765 (1.2506e-05% change)
linmin: converged after 2 iterations.
iteration 25: trace = 11.04526825491118 (1.26028e-05% change)
linmin: converged after 2 iterations.
iteration 26: trace = 11.04526685205817 (1.27009e-05% change)
linmin: converged after 2 iterations.
iteration 27: trace = 11.04526543822464 (1.28004e-05% change)
linmin: converged after 2 iterations.
iteration 28: trace = 11.04526401326389 (1.29011e-05% change)
linmin: converged after 2 iterations.
iteration 29: trace = 11.0452625770265 (1.30032e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 11.04526112936021 (1.31067e-05% change)
linmin: converged after 2 iterations.
iteration 31: trace = 11.04525967010993 (1.32116e-05% change)
linmin: converged after 2 iterations.
iteration 32: trace = 11.04525819911753 (1.33179e-05% change)
linmin: converged after 2 iterations.
iteration 33: trace = 11.04525671622196 (1.34256e-05% change)
linmin: converged after 2 iterations.
iteration 34: trace = 11.04525522125898 (1.35349e-05% change)
linmin: converged after 2 iterations.
iteration 35: trace = 11.04525371406129 (1.36457e-05% change)
linmin: converged after 2 iterations.
iteration 36: trace = 11.04525219445831 (1.3758e-05% change)
linmin: converged after 2 iterations.
iteration 37: trace = 11.04525066227611 (1.38719e-05% change)
linmin: converged after 2 iterations.
iteration 38: trace = 11.0452491173374 (1.39874e-05% change)
linmin: converged after 2 iterations.
iteration 39: trace = 11.04524755946137 (1.41045e-05% change)
linmin: converged after 2 iterations.
iteration 40: trace = 11.04524598846375 (1.42233e-05% change)
linmin: converged after 2 iterations.
iteration 41: trace = 11.04524440415653 (1.43438e-05% change)
linmin: converged after 2 iterations.
iteration 42: trace = 11.04524280634799 (1.4466e-05% change)
linmin: converged after 3 iterations.
iteration 43: trace = 11.04524119484263 (1.459e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 11.04523956944066 (1.47159e-05% change)
linmin: converged after 3 iterations.
iteration 45: trace = 11.04523792993891 (1.48435e-05% change)
linmin: converged after 3 iterations.
iteration 46: trace = 11.04523627612987 (1.49731e-05% change)
linmin: converged after 3 iterations.
iteration 47: trace = 11.04523460780173 (1.51045e-05% change)
linmin: converged after 3 iterations.
iteration 48: trace = 11.04523292473847 (1.52379e-05% change)
linmin: converged after 3 iterations.
iteration 49: trace = 11.0452312267196 (1.53733e-05% change)
linmin: converged after 3 iterations.
iteration 50: trace = 11.04522951352007 (1.55108e-05% change)
linmin: converged after 3 iterations.
iteration 51: trace = 11.04522778491029 (1.56503e-05% change)
linmin: converged after 3 iterations.
iteration 52: trace = 11.04522604065592 (1.57919e-05% change)
linmin: converged after 3 iterations.
iteration 53: trace = 11.04522428051769 (1.59357e-05% change)
linmin: converged after 3 iterations.
iteration 54: trace = 11.04522250425144 (1.60818e-05% change)
linmin: converged after 3 iterations.
iteration 55: trace = 11.04522071160789 (1.623e-05% change)
linmin: converged after 3 iterations.
iteration 56: trace = 11.04521890233255 (1.63806e-05% change)
linmin: converged after 3 iterations.
iteration 57: trace = 11.04521707616558 (1.65336e-05% change)
linmin: converged after 3 iterations.
iteration 58: trace = 11.04521523284169 (1.66889e-05% change)
linmin: converged after 3 iterations.
iteration 59: trace = 11.04521337208992 (1.68467e-05% change)
linmin: converged after 3 iterations.
iteration 60: trace = 11.04521149363372 (1.7007e-05% change)
linmin: converged after 3 iterations.
iteration 61: trace = 11.04520959719053 (1.71698e-05% change)
linmin: converged after 3 iterations.
iteration 62: trace = 11.04520768247186 (1.73353e-05% change)
linmin: converged after 3 iterations.
iteration 63: trace = 11.04520574918305 (1.75034e-05% change)
linmin: converged after 3 iterations.
iteration 64: trace = 11.04520379702311 (1.76743e-05% change)
linmin: converged after 3 iterations.
iteration 65: trace = 11.04520182568464 (1.78479e-05% change)
linmin: converged after 3 iterations.
iteration 66: trace = 11.04519983485366 (1.80244e-05% change)
linmin: converged after 3 iterations.
iteration 67: trace = 11.04519782420939 (1.82038e-05% change)
linmin: converged after 3 iterations.
iteration 68: trace = 11.04519579342418 (1.83861e-05% change)
linmin: converged after 3 iterations.
iteration 69: trace = 11.04519374216338 (1.85715e-05% change)
resetting CG direction...
large trace change predicted (0.52935%)
linmin: converged after 4 iterations.
iteration 70: trace = 10.98570566223641 (0.540042% change)
linmin: converged after 4 iterations.
iteration 71: trace = 10.96854022959879 (0.156375% change)
linmin: converged after 4 iterations.
iteration 72: trace = 10.96130326728942 (0.066001% change)
linmin: converged after 3 iterations.
iteration 73: trace = 10.96015412891847 (0.0104841% change)
linmin: converged after 2 iterations.
iteration 74: trace = 10.96003366815351 (0.00109909% change)
linmin: converged after 2 iterations.
iteration 75: trace = 10.96000289704638 (0.000280758% change)
linmin: converged after 2 iterations.
iteration 76: trace = 10.96000031343343 (2.35731e-05% change)
linmin: converged after 2 iterations.
iteration 77: trace = 10.96000007994671 (2.13035e-06% change)
Finished solving for bands 1 to 8 after 77 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315
elapsed time for k point: 0.6028127670288086
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: 0.013787984848022461
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 9.84000000175697 (1.78163e-07% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222
elapsed time for k point: 0.01311492919921875
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 9.760000000165839 (2.02392e-08% change)
Finished solving for bands 1 to 8 after 1 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127
elapsed time for k point: 0.013820171356201172
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 1 iterations.
iteration 1: trace = 10.00000000001522 (1.76504e-09% change)
Finished solving for bands 2 to 8 after 1 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421
.elapsed time for k point: 0.00955510139465332
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.5000000000350688 at Vector3<0.5, 0.0, 0.0> to 1.000000000046465 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.7071067811884203 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555266 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.7071067811901187 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266768 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
Band 5 range: 1.0000000000010296 at Vector3<0.0, 0.0, 0.0> to 1.581138830084637 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085846 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 1.2806248475164044 at Vector3<0.2, 0.0, 0.0> to 1.5811388300892408 at Vector3<0.5, 0.5, 0.0>
Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.8027756376524438 at Vector3<0.5, 0.0, 0.0>
total elapsed time for run: 0.9193065166473389
done
/tmp/meepNmMUdV/test_run_te_no_geometry-0: 0.92s
/tmp/meepNmMUdV/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: 0.005692243576049805
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 11 iterations.
iteration 1: trace = 37.07995427807219 (187.597% change)
linmin: converged after 10 iterations.
iteration 2: trace = 15.08208968479104 (84.3443% change)
linmin: converged after 5 iterations.
iteration 3: trace = 12.99875116715982 (14.8381% change)
linmin: converged after 5 iterations.
iteration 4: trace = 11.69137614546983 (10.5903% change)
linmin: converged after 7 iterations.
iteration 5: trace = 10.73396991772579 (8.53861% change)
linmin: converged after 6 iterations.
iteration 6: trace = 10.10267619623333 (6.05946% change)
linmin: converged after 7 iterations.
iteration 7: trace = 9.256976064852251 (8.73673% change)
linmin: converged after 5 iterations.
iteration 8: trace = 8.850990942053468 (4.48405% change)
linmin: converged after 5 iterations.
iteration 9: trace = 8.599260229500352 (2.88512% change)
linmin: converged after 4 iterations.
iteration 10: trace = 8.316373992737995 (3.34467% change)
linmin: converged after 9 iterations.
iteration 11: trace = 8.106938037463252 (2.55047% change)
linmin: converged after 5 iterations.
iteration 12: trace = 7.905014338689118 (2.52216% change)
linmin: converged after 5 iterations.
iteration 13: trace = 7.660044025288115 (3.1477% change)
linmin: converged after 5 iterations.
iteration 14: trace = 7.496221801916152 (2.16178% change)
linmin: converged after 6 iterations.
iteration 15: trace = 7.355401183182603 (1.89637% change)
linmin: converged after 3 iterations.
iteration 16: trace = 7.251380388730299 (1.42428% change)
linmin: converged after 4 iterations.
iteration 17: trace = 7.181279634982483 (0.971418% change)
linmin: converged after 4 iterations.
iteration 18: trace = 7.129536000221192 (0.72314% change)
linmin: converged after 4 iterations.
iteration 19: trace = 7.092299384768596 (0.523654% change)
linmin: converged after 4 iterations.
iteration 20: trace = 7.062880917273189 (0.415657% change)
linmin: converged after 4 iterations.
iteration 21: trace = 7.042009129702122 (0.295951% change)
linmin: converged after 4 iterations.
iteration 22: trace = 7.015249899502796 (0.380718% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.993639031239558 (0.308531% change)
linmin: converged after 8 iterations.
iteration 24: trace = 6.975094425064427 (0.265516% change)
linmin: converged after 5 iterations.
iteration 25: trace = 6.961290671290445 (0.198097% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.952090597273195 (0.132248% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.944594436143475 (0.107884% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.939427077724179 (0.074436% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.935335631485183 (0.0589768% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.931440745256259 (0.0561758% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.927493559852733 (0.0569623% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.924575580355971 (0.0421306% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.92195609265993 (0.037836% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.919902276354948 (0.0296754% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.918509942477778 (0.0201227% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.917294697111187 (0.0175667% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.916553713264987 (0.0107126% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.915921952566331 (0.00913446% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.915298971371119 (0.00900833% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.914744471127827 (0.00801878% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.91409594331793 (0.00937935% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.913507656441302 (0.00850888% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.913069239353786 (0.00634166% change)
linmin: converged after 5 iterations.
iteration 44: trace = 6.912734881148703 (0.00483673% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.912459643163091 (0.00398169% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.912146917482922 (0.00452419% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.911807830685809 (0.00490579% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.911408698772161 (0.00577481% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.910951335357746 (0.00661773% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.910392908075353 (0.00808065% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.909889294350785 (0.00728804% change)
linmin: converged after 7 iterations.
iteration 52: trace = 6.909402304212081 (0.00704798% change)
linmin: converged after 6 iterations.
iteration 53: trace = 6.908895116624727 (0.00734081% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.90819191278331 (0.0101788% change)
linmin: converged after 4 iterations.
iteration 55: trace = 6.90710883123861 (0.0156794% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.906076217483654 (0.0149511% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.904928772690385 (0.0166164% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.903780583539254 (0.0166299% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.902624626572432 (0.0167452% change)
linmin: converged after 4 iterations.
iteration 60: trace = 6.900943191893147 (0.0243623% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.89919066188786 (0.0253987% change)
linmin: converged after 4 iterations.
iteration 62: trace = 6.897351295010338 (0.0266642% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.895376358666671 (0.0286374% change)
linmin: converged after 4 iterations.
iteration 64: trace = 6.893892251486704 (0.0215255% change)
linmin: converged after 6 iterations.
iteration 65: trace = 6.892335264246674 (0.0225876% change)
linmin: converged after 7 iterations.
iteration 66: trace = 6.890751058237673 (0.0229877% change)
linmin: converged after 5 iterations.
iteration 67: trace = 6.889435731225642 (0.0190901% change)
linmin: converged after 4 iterations.
iteration 68: trace = 6.888124774062351 (0.0190303% change)
linmin: converged after 6 iterations.
iteration 69: trace = 6.886910011604837 (0.0176372% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.884767233800281 (0.0311186% change)
linmin: converged after 4 iterations.
iteration 71: trace = 6.882633388966271 (0.0309985% change)
linmin: converged after 3 iterations.
iteration 72: trace = 6.881095114696525 (0.0223526% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.87994659843678 (0.0166923% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.879316462705576 (0.00915944% change)
linmin: converged after 3 iterations.
iteration 75: trace = 6.878537082326417 (0.01133% change)
linmin: converged after 4 iterations.
iteration 76: trace = 6.877914174675023 (0.00905623% change)
linmin: converged after 4 iterations.
iteration 77: trace = 6.876925949956274 (0.0143691% change)
linmin: converged after 4 iterations.
iteration 78: trace = 6.875996383308235 (0.0135181% change)
linmin: converged after 4 iterations.
iteration 79: trace = 6.874607000382662 (0.0202083% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.873714381697677 (0.0129851% change)
linmin: converged after 4 iterations.
iteration 81: trace = 6.872576208231382 (0.0165597% change)
linmin: converged after 8 iterations.
iteration 82: trace = 6.870977203084404 (0.0232692% change)
linmin: converged after 5 iterations.
iteration 83: trace = 6.868687860115962 (0.0333246% change)
linmin: converged after 4 iterations.
iteration 84: trace = 6.867477621416901 (0.0176212% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.866565171623574 (0.0132874% change)
linmin: converged after 4 iterations.
iteration 86: trace = 6.865179370193868 (0.0201839% change)
linmin: converged after 7 iterations.
iteration 87: trace = 6.862623640204431 (0.0372344% change)
linmin: converged after 5 iterations.
iteration 88: trace = 6.861124924851314 (0.0218412% change)
linmin: converged after 3 iterations.
iteration 89: trace = 6.860204110400439 (0.0134217% change)
linmin: converged after 4 iterations.
iteration 90: trace = 6.85899593823528 (0.0176129% change)
linmin: converged after 6 iterations.
iteration 91: trace = 6.858118223272071 (0.0127974% change)
linmin: converged after 5 iterations.
iteration 92: trace = 6.857128033211874 (0.0144393% change)
linmin: converged after 4 iterations.
iteration 93: trace = 6.856378784894431 (0.0109272% change)
linmin: converged after 3 iterations.
iteration 94: trace = 6.855983889090109 (0.0057597% change)
linmin: converged after 3 iterations.
iteration 95: trace = 6.85577583346009 (0.0030347% change)
linmin: converged after 3 iterations.
iteration 96: trace = 6.855523309319313 (0.00368345% change)
linmin: converged after 6 iterations.
iteration 97: trace = 6.855274952922894 (0.00362279% change)
linmin: converged after 4 iterations.
iteration 98: trace = 6.85516080596084 (0.00166511% change)
linmin: converged after 5 iterations.
iteration 99: trace = 6.855076132958161 (0.00123518% change)
linmin: converged after 4 iterations.
iteration 100: trace = 6.854953019040844 (0.00179597% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.854818094665997 (0.0019683% change)
linmin: converged after 4 iterations.
iteration 102: trace = 6.854758810104011 (0.000864863% change)
linmin: converged after 4 iterations.
iteration 103: trace = 6.854718951473719 (0.000581476% change)
linmin: converged after 4 iterations.
iteration 104: trace = 6.854683880432596 (0.000511635% change)
linmin: converged after 3 iterations.
iteration 105: trace = 6.854645200690635 (0.000564284% change)
linmin: converged after 7 iterations.
iteration 106: trace = 6.854612595121025 (0.000475672% change)
linmin: converged after 3 iterations.
iteration 107: trace = 6.854584016593008 (0.000416925% change)
linmin: converged after 4 iterations.
iteration 108: trace = 6.854554271381482 (0.000433947% change)
linmin: converged after 4 iterations.
iteration 109: trace = 6.854529731098175 (0.000358015% change)
linmin: converged after 3 iterations.
iteration 110: trace = 6.85451032617816 (0.000283097% change)
linmin: converged after 4 iterations.
iteration 111: trace = 6.854489441006676 (0.000304693% change)
linmin: converged after 3 iterations.
iteration 112: trace = 6.854472900205786 (0.000241314% change)
linmin: converged after 3 iterations.
iteration 113: trace = 6.85445619599157 (0.000243698% change)
linmin: converged after 3 iterations.
iteration 114: trace = 6.854435502532668 (0.000301898% change)
linmin: converged after 3 iterations.
iteration 115: trace = 6.854411317543918 (0.000352838% change)
linmin: converged after 4 iterations.
iteration 116: trace = 6.854399036010832 (0.000179177% change)
linmin: converged after 4 iterations.
iteration 117: trace = 6.85439110525098 (0.000115703% change)
large trace change predicted (0.000265242%)
linmin: converged after 5 iterations.
iteration 118: trace = 6.854372905680224 (0.000265517% change)
linmin: converged after 5 iterations.
iteration 119: trace = 6.854352891836047 (0.000291987% change)
linmin: converged after 4 iterations.
iteration 120: trace = 6.85434355911622 (0.000136158% change)
linmin: converged after 5 iterations.
iteration 121: trace = 6.85433805076562 (8.0363e-05% change)
linmin: converged after 3 iterations.
iteration 122: trace = 6.854333109670031 (7.20872e-05% change)
linmin: converged after 4 iterations.
iteration 123: trace = 6.854329720452945 (4.94464e-05% change)
linmin: converged after 5 iterations.
iteration 124: trace = 6.854326963823953 (4.02173e-05% change)
linmin: converged after 4 iterations.
iteration 125: trace = 6.854323815981874 (4.59249e-05% change)
linmin: converged after 3 iterations.
iteration 126: trace = 6.854320653827818 (4.61337e-05% change)
linmin: converged after 4 iterations.
iteration 127: trace = 6.854318503350898 (3.1374e-05% change)
linmin: converged after 8 iterations.
iteration 128: trace = 6.85431648174432 (2.94939e-05% change)
linmin: converged after 4 iterations.
iteration 129: trace = 6.85431496843916 (2.20781e-05% change)
linmin: converged after 4 iterations.
iteration 130: trace = 6.854314300000098 (9.75209e-06% change)
linmin: converged after 4 iterations.
iteration 131: trace = 6.854313678998223 (9.06001e-06% change)
linmin: converged after 6 iterations.
iteration 132: trace = 6.854312884215395 (1.15954e-05% change)
linmin: converged after 5 iterations.
iteration 133: trace = 6.854311865523803 (1.48621e-05% change)
linmin: converged after 9 iterations.
iteration 134: trace = 6.854311298648694 (8.27034e-06% change)
linmin: converged after 5 iterations.
iteration 135: trace = 6.854310824373635 (6.91937e-06% change)
linmin: converged after 8 iterations.
iteration 136: trace = 6.854310167549999 (9.58264e-06% change)
linmin: converged after 5 iterations.
iteration 137: trace = 6.854309289983799 (1.28031e-05% change)
linmin: converged after 7 iterations.
iteration 138: trace = 6.854308657384959 (9.22921e-06% change)
linmin: converged after 4 iterations.
iteration 139: trace = 6.854307924095668 (1.06982e-05% change)
resetting CG direction...
linmin: converged after 5 iterations.
iteration 140: trace = 6.85430741795753 (7.38423e-06% change)
linmin: converged after 4 iterations.
iteration 141: trace = 6.854306969999267 (6.53543e-06% change)
linmin: converged after 6 iterations.
iteration 142: trace = 6.854306474746234 (7.22543e-06% change)
linmin: converged after 4 iterations.
iteration 143: trace = 6.854306058686805 (6.07004e-06% change)
linmin: converged after 3 iterations.
iteration 144: trace = 6.854305757018995 (4.40114e-06% change)
linmin: converged after 6 iterations.
iteration 145: trace = 6.854305444789216 (4.55524e-06% change)
linmin: converged after 6 iterations.
iteration 146: trace = 6.854304890348724 (8.08894e-06% change)
linmin: converged after 5 iterations.
iteration 147: trace = 6.854304491618008 (5.81723e-06% change)
linmin: converged after 6 iterations.
iteration 148: trace = 6.854304291611362 (2.91797e-06% change)
linmin: converged after 7 iterations.
iteration 149: trace = 6.85430406097317 (3.36487e-06% change)
linmin: converged after 7 iterations.
iteration 150: trace = 6.854303701030546 (5.25134e-06% change)
linmin: converged after 9 iterations.
iteration 151: trace = 6.854303402250228 (4.35902e-06% change)
linmin: converged after 4 iterations.
iteration 152: trace = 6.854303138147559 (3.85309e-06% change)
linmin: converged after 4 iterations.
iteration 153: trace = 6.854302877354657 (3.80481e-06% change)
linmin: converged after 8 iterations.
iteration 154: trace = 6.854302639862343 (3.46486e-06% change)
linmin: converged after 10 iterations.
iteration 155: trace = 6.854302422638009 (3.16917e-06% change)
linmin: converged after 5 iterations.
iteration 156: trace = 6.85430226035828 (2.36756e-06% change)
linmin: converged after 6 iterations.
iteration 157: trace = 6.85430202299859 (3.46293e-06% change)
linmin: converged after 6 iterations.
iteration 158: trace = 6.854301803084193 (3.20841e-06% change)
linmin: converged after 21 iterations.
iteration 159: trace = 6.854301557949087 (3.57637e-06% change)
linmin: converged after 13 iterations.
iteration 160: trace = 6.854301404120981 (2.24426e-06% change)
linmin: converged after 6 iterations.
iteration 161: trace = 6.854301308364163 (1.39703e-06% change)
linmin: converged after 5 iterations.
iteration 162: trace = 6.854301245803399 (9.12723e-07% change)
linmin: converged after 6 iterations.
iteration 163: trace = 6.854301157786383 (1.28411e-06% change)
linmin: converged after 9 iterations.
iteration 164: trace = 6.854301069008716 (1.29521e-06% change)
linmin: converged after 5 iterations.
iteration 165: trace = 6.854301009962249 (8.61451e-07% change)
linmin: converged after 5 iterations.
iteration 166: trace = 6.854300969712035 (5.87226e-07% change)
linmin: converged after 10 iterations.
iteration 167: trace = 6.854300948093899 (3.15395e-07% change)
linmin: converged after 4 iterations.
iteration 168: trace = 6.854300932079138 (2.33645e-07% change)
linmin: converged after 8 iterations.
iteration 169: trace = 6.854300911085044 (3.06291e-07% change)
linmin: converged after 5 iterations.
iteration 170: trace = 6.854300891898116 (2.79925e-07% change)
linmin: converged after 4 iterations.
iteration 171: trace = 6.854300881316067 (1.54386e-07% change)
linmin: converged after 4 iterations.
iteration 172: trace = 6.854300873074544 (1.20239e-07% change)
linmin: converged after 4 iterations.
iteration 173: trace = 6.854300860998613 (1.7618e-07% change)
linmin: converged after 9 iterations.
iteration 174: trace = 6.854300852081605 (1.30094e-07% change)
linmin: converged after 4 iterations.
iteration 175: trace = 6.854300842756837 (1.36043e-07% change)
linmin: converged after 4 iterations.
iteration 176: trace = 6.854300830319976 (1.81446e-07% change)
linmin: converged after 4 iterations.
iteration 177: trace = 6.854300822658853 (1.11771e-07% change)
linmin: converged after 4 iterations.
iteration 178: trace = 6.854300817999977 (6.79701e-08% change)
linmin: converged after 6 iterations.
iteration 179: trace = 6.854300813566252 (6.46853e-08% change)
linmin: converged after 4 iterations.
iteration 180: trace = 6.854300808265787 (7.73305e-08% change)
linmin: converged after 4 iterations.
iteration 181: trace = 6.85430080189012 (9.3017e-08% change)
linmin: converged after 4 iterations.
iteration 182: trace = 6.854300795458916 (9.38273e-08% change)
linmin: converged after 5 iterations.
iteration 183: trace = 6.854300791299546 (6.06826e-08% change)
linmin: converged after 4 iterations.
iteration 184: trace = 6.854300788181162 (4.54953e-08% change)
linmin: converged after 4 iterations.
iteration 185: trace = 6.854300785346512 (4.13558e-08% change)
linmin: converged after 4 iterations.
iteration 186: trace = 6.854300781059477 (6.25452e-08% change)
linmin: converged after 4 iterations.
iteration 187: trace = 6.85430077849625 (3.73959e-08% change)
linmin: converged after 5 iterations.
iteration 188: trace = 6.854300777083773 (2.06072e-08% change)
linmin: converged after 5 iterations.
iteration 189: trace = 6.854300775839437 (1.81541e-08% change)
linmin: converged after 4 iterations.
iteration 190: trace = 6.854300774397618 (2.10352e-08% change)
linmin: converged after 4 iterations.
iteration 191: trace = 6.854300773195782 (1.7534e-08% change)
linmin: converged after 10 iterations.
iteration 192: trace = 6.854300772733366 (6.74637e-09% change)
linmin: converged after 5 iterations.
iteration 193: trace = 6.854300772377667 (5.18942e-09% change)
linmin: converged after 4 iterations.
iteration 194: trace = 6.854300771834831 (7.91964e-09% change)
linmin: converged after 4 iterations.
iteration 195: trace = 6.854300771439799 (5.76327e-09% change)
linmin: converged after 8 iterations.
iteration 196: trace = 6.854300771270411 (2.47127e-09% change)
linmin: converged after 15 iterations.
iteration 197: trace = 6.854300771195954 (1.08629e-09% change)
linmin: converged after 5 iterations.
iteration 198: trace = 6.85430077114026 (8.1253e-10% change)
linmin: converged after 6 iterations.
iteration 199: trace = 6.854300771070988 (1.01064e-09% change)
linmin: converged after 6 iterations.
iteration 200: trace = 6.854300771010828 (8.77695e-10% change)
linmin: converged after 5 iterations.
iteration 201: trace = 6.854300770988376 (3.27565e-10% change)
linmin: converged after 3 iterations.
iteration 202: trace = 6.85430077097574 (1.8434e-10% change)
linmin: converged after 5 iterations.
iteration 203: trace = 6.854300770964803 (1.59564e-10% change)
linmin: converged after 5 iterations.
iteration 204: trace = 6.854300770958496 (9.20275e-11% change)
Finished solving for bands 2 to 8 after 204 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597
elapsed time for k point: 2.165658712387085
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 7.007537458770543 (11.2703% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.003247357231354 (0.06124% change)
large trace change predicted (0.442958%)
linmin: converged after 12 iterations.
iteration 3: trace = 6.975139323720075 (0.402164% change)
linmin: converged after 6 iterations.
iteration 4: trace = 6.971270249796364 (0.0554849% change)
large trace change predicted (0.226623%)
linmin: converged after 4 iterations.
iteration 5: trace = 6.95626746709176 (0.215441% change)
linmin: converged after 5 iterations.
iteration 6: trace = 6.933392871869965 (0.329376% change)
linmin: converged after 7 iterations.
iteration 7: trace = 6.931992241213145 (0.0202033% change)
large trace change predicted (0.205291%)
linmin: converged after 4 iterations.
iteration 8: trace = 6.917331502758634 (0.211718% change)
linmin: converged after 5 iterations.
iteration 9: trace = 6.902037334308378 (0.221344% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.900816451972369 (0.0176903% change)
linmin: converged after 5 iterations.
iteration 11: trace = 6.89872059050643 (0.0303758% change)
large trace change predicted (0.158392%)
linmin: converged after 16 iterations.
iteration 12: trace = 6.888130422086455 (0.153627% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.885392672096422 (0.0397538% change)
linmin: converged after 5 iterations.
iteration 14: trace = 6.881023933438058 (0.0634695% change)
large trace change predicted (0.55157%)
linmin: converged after 6 iterations.
iteration 15: trace = 6.851222975463971 (0.434029% change)
linmin: converged after 5 iterations.
iteration 16: trace = 6.848570430815456 (0.0387239% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.846532529449004 (0.029761% change)
large trace change predicted (0.118503%)
linmin: converged after 5 iterations.
iteration 18: trace = 6.838958713011278 (0.110684% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.838261213899658 (0.0101994% change)
large trace change predicted (0.0363605%)
linmin: converged after 3 iterations.
iteration 20: trace = 6.835756717892115 (0.0366315% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.831548373294781 (0.0615827% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.831144950362522 (0.00590547% change)
large trace change predicted (0.0574304%)
linmin: converged after 4 iterations.
iteration 23: trace = 6.827114320193621 (0.0590211% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.823314254045346 (0.0556769% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.822904148454289 (0.00601054% change)
large trace change predicted (0.0472522%)
linmin: converged after 4 iterations.
iteration 26: trace = 6.819507846213498 (0.0497903% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.818042496114999 (0.0214899% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.817386908592947 (0.00961594% change)
large trace change predicted (0.0746118%)
linmin: converged after 5 iterations.
iteration 29: trace = 6.811801979469831 (0.0819554% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.811011809866311 (0.0116007% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.809751566516852 (0.0185047% change)
large trace change predicted (0.0614978%)
linmin: converged after 4 iterations.
iteration 32: trace = 6.805453215230848 (0.0631405% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.805025641051587 (0.00628301% change)
large trace change predicted (0.0298744%)
linmin: converged after 3 iterations.
iteration 34: trace = 6.802964560161085 (0.0302922% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.800346849465774 (0.0384864% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.800157588018116 (0.00278315% change)
large trace change predicted (0.0152533%)
linmin: converged after 4 iterations.
iteration 37: trace = 6.799129591064455 (0.0151184% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.797753748529395 (0.0202376% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.797626611652197 (0.0018703% change)
large trace change predicted (0.00964375%)
linmin: converged after 4 iterations.
iteration 40: trace = 6.796985848418216 (0.00942672% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.796346974237312 (0.00939982% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.796284306755298 (0.00092208% change)
large trace change predicted (0.00629695%)
linmin: converged after 4 iterations.
iteration 43: trace = 6.795867526962835 (0.00613265% change)
linmin: converged after 4 iterations.
iteration 44: trace = 6.795406396346936 (0.00678569% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.795367588222659 (0.000571095% change)
large trace change predicted (0.00284232%)
linmin: converged after 4 iterations.
iteration 46: trace = 6.795177118671837 (0.00280297% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.794940917809682 (0.00347607% change)
linmin: converged after 5 iterations.
iteration 48: trace = 6.794907135235329 (0.000497174% change)
large trace change predicted (0.00433788%)
linmin: converged after 4 iterations.
iteration 49: trace = 6.79461593008832 (0.00428573% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.794255732232035 (0.00530137% change)
linmin: converged after 6 iterations.
iteration 51: trace = 6.794217399161713 (0.0005642% change)
large trace change predicted (0.00335304%)
linmin: converged after 4 iterations.
iteration 52: trace = 6.793991211603265 (0.00332917% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.793728115043741 (0.00387256% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.793694256794119 (0.000498376% change)
large trace change predicted (0.00365895%)
linmin: converged after 4 iterations.
iteration 55: trace = 6.793446263012027 (0.00365042% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.79319685158562 (0.00367142% change)
linmin: converged after 9 iterations.
iteration 57: trace = 6.793167321985417 (0.000434695% change)
large trace change predicted (0.00302389%)
linmin: converged after 5 iterations.
iteration 58: trace = 6.792962144869102 (0.00302039% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.792775383436505 (0.00274937% change)
linmin: converged after 4 iterations.
iteration 60: trace = 6.792756986167655 (0.000270836% change)
large trace change predicted (0.00165708%)
linmin: converged after 5 iterations.
iteration 61: trace = 6.792644652658681 (0.00165374% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.792550296052503 (0.00138911% change)
linmin: converged after 3 iterations.
iteration 63: trace = 6.792537663864187 (0.000185971% change)
large trace change predicted (0.00160148%)
linmin: converged after 4 iterations.
iteration 64: trace = 6.792429265012766 (0.00159586% change)
linmin: converged after 3 iterations.
iteration 65: trace = 6.792340576376375 (0.00130571% change)
linmin: converged after 16 iterations.
iteration 66: trace = 6.792331550527897 (0.000132883% change)
large trace change predicted (0.000841255%)
linmin: converged after 4 iterations.
iteration 67: trace = 6.792274568698177 (0.000838918% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.792237438769073 (0.000546651% change)
linmin: converged after 11 iterations.
iteration 69: trace = 6.792232609045143 (7.11065e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.792228297098191 (6.34835e-05% change)
large trace change predicted (0.00110164%)
linmin: converged after 4 iterations.
iteration 71: trace = 6.792153696178212 (0.00109833% change)
linmin: converged after 12 iterations.
iteration 72: trace = 6.792149583711656 (6.05473e-05% change)
large trace change predicted (0.000708861%)
linmin: converged after 5 iterations.
iteration 73: trace = 6.792101528889144 (0.000707508% change)
linmin: converged after 5 iterations.
iteration 74: trace = 6.792099860165784 (2.45686e-05% change)
large trace change predicted (0.000619125%)
linmin: converged after 4 iterations.
iteration 75: trace = 6.792057870211257 (0.000618219% change)
linmin: converged after 27 iterations.
iteration 76: trace = 6.792056167172855 (2.5074e-05% change)
large trace change predicted (0.000403867%)
linmin: converged after 3 iterations.
iteration 77: trace = 6.792028720633257 (0.000404098% change)
linmin: converged after 3 iterations.
iteration 78: trace = 6.792026996687894 (2.53819e-05% change)
large trace change predicted (0.000260596%)
linmin: converged after 3 iterations.
iteration 79: trace = 6.792009276372577 (0.000260899% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.792008452394795 (1.21316e-05% change)
large trace change predicted (0.000159639%)
linmin: converged after 3 iterations.
iteration 81: trace = 6.79199759856979 (0.000159803% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.791996904837159 (1.0214e-05% change)
large trace change predicted (8.62686e-05%)
linmin: converged after 3 iterations.
iteration 83: trace = 6.791991042742044 (8.63089e-05% change)
linmin: converged after 3 iterations.
iteration 84: trace = 6.791990706015693 (4.9577e-06% change)
large trace change predicted (6.51946e-05%)
linmin: converged after 3 iterations.
iteration 85: trace = 6.79198627771271 (6.51989e-05% change)
linmin: converged after 4 iterations.
iteration 86: trace = 6.791986002491485 (4.05215e-06% change)
large trace change predicted (5.28282e-05%)
linmin: converged after 4 iterations.
iteration 87: trace = 6.791982413729166 (5.28382e-05% change)
linmin: converged after 4 iterations.
iteration 88: trace = 6.791981792179875 (9.15122e-06% change)
large trace change predicted (5.89448e-05%)
linmin: converged after 4 iterations.
iteration 89: trace = 6.791977793987513 (5.88664e-05% change)
linmin: converged after 5 iterations.
iteration 90: trace = 6.791976820418645 (1.43341e-05% change)
linmin: converged after 3 iterations.
iteration 91: trace = 6.791975633273901 (1.74786e-05% change)
linmin: converged after 10 iterations.
iteration 92: trace = 6.791973900510644 (2.55119e-05% change)
linmin: converged after 3 iterations.
iteration 93: trace = 6.79197342735875 (6.96634e-06% change)
large trace change predicted (1.82842e-05%)
linmin: converged after 3 iterations.
iteration 94: trace = 6.79197218562005 (1.82824e-05% change)
linmin: converged after 7 iterations.
iteration 95: trace = 6.791971554510297 (9.292e-06% change)
linmin: converged after 3 iterations.
iteration 96: trace = 6.791970944564885 (8.98039e-06% change)
linmin: converged after 3 iterations.
iteration 97: trace = 6.79197020424627 (1.08999e-05% change)
linmin: converged after 3 iterations.
iteration 98: trace = 6.791969818866197 (5.67405e-06% change)
linmin: converged after 4 iterations.
iteration 99: trace = 6.791969226500072 (8.72157e-06% change)
linmin: converged after 12 iterations.
iteration 100: trace = 6.79196870849545 (7.62672e-06% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.791968633626281 (1.10232e-06% change)
large trace change predicted (5.10903e-06%)
linmin: converged after 2 iterations.
iteration 102: trace = 6.791968286614616 (5.10915e-06% change)
linmin: converged after 7 iterations.
iteration 103: trace = 6.791968271359229 (2.24609e-07% change)
large trace change predicted (2.51701e-06%)
linmin: converged after 4 iterations.
iteration 104: trace = 6.791968100409844 (2.51693e-06% change)
linmin: converged after 4 iterations.
iteration 105: trace = 6.791968092597848 (1.15018e-07% change)
large trace change predicted (2.05412e-06%)
linmin: converged after 2 iterations.
iteration 106: trace = 6.791967953083027 (2.05411e-06% change)
linmin: converged after 7 iterations.
iteration 107: trace = 6.791967948031305 (7.43779e-08% change)
large trace change predicted (1.46229e-06%)
linmin: converged after 7 iterations.
iteration 108: trace = 6.791967848710163 (1.46233e-06% change)
linmin: converged after 13 iterations.
iteration 109: trace = 6.791967845213797 (5.1478e-08% change)
large trace change predicted (1.32193e-06%)
linmin: converged after 5 iterations.
iteration 110: trace = 6.791967755430326 (1.32191e-06% change)
linmin: converged after 6 iterations.
iteration 111: trace = 6.791967750703794 (6.959e-08% change)
large trace change predicted (1.19531e-06%)
linmin: converged after 5 iterations.
iteration 112: trace = 6.791967669514257 (1.19538e-06% change)
linmin: converged after 9 iterations.
iteration 113: trace = 6.791967666687638 (4.16171e-08% change)
large trace change predicted (7.69574e-07%)
linmin: converged after 4 iterations.
iteration 114: trace = 6.791967614419717 (7.69555e-07% change)
linmin: converged after 5 iterations.
iteration 115: trace = 6.791967611014348 (5.01382e-08% change)
large trace change predicted (3.20606e-07%)
linmin: converged after 25 iterations.
iteration 116: trace = 6.791967589238912 (3.20606e-07% change)
linmin: converged after 9 iterations.
iteration 117: trace = 6.791967586997452 (3.30016e-08% change)
large trace change predicted (2.80841e-07%)
linmin: converged after 2 iterations.
iteration 118: trace = 6.791967567922804 (2.80841e-07% change)
linmin: converged after 4 iterations.
iteration 119: trace = 6.79196756206625 (8.62276e-08% change)
linmin: converged after 4 iterations.
iteration 120: trace = 6.791967551088215 (1.61633e-07% change)
linmin: converged after 4 iterations.
iteration 121: trace = 6.791967543190053 (1.16287e-07% change)
linmin: converged after 17 iterations.
iteration 122: trace = 6.791967536851629 (9.33224e-08% change)
linmin: converged after 21 iterations.
iteration 123: trace = 6.791967524533746 (1.8136e-07% change)
linmin: converged after 9 iterations.
iteration 124: trace = 6.791967521931811 (3.8309e-08% change)
linmin: converged after 4 iterations.
iteration 125: trace = 6.791967517045971 (7.19356e-08% change)
linmin: converged after 11 iterations.
iteration 126: trace = 6.79196751659859 (6.58691e-09% change)
large trace change predicted (5.53959e-08%)
linmin: converged after 7 iterations.
iteration 127: trace = 6.791967512836083 (5.53964e-08% change)
linmin: converged after 21 iterations.
iteration 128: trace = 6.791967512490546 (5.08743e-09% change)
large trace change predicted (3.88715e-08%)
linmin: converged after 19 iterations.
iteration 129: trace = 6.791967509850352 (3.88723e-08% change)
linmin: converged after 4 iterations.
iteration 130: trace = 6.791967509709573 (2.07273e-09% change)
large trace change predicted (5.20863e-08%)
linmin: converged after 20 iterations.
iteration 131: trace = 6.791967506171849 (5.20869e-08% change)
linmin: converged after 20 iterations.
iteration 132: trace = 6.79196750602184 (2.20862e-09% change)
large trace change predicted (5.55664e-08%)
linmin: converged after 10 iterations.
iteration 133: trace = 6.791967502247739 (5.55671e-08% change)
linmin: converged after 16 iterations.
iteration 134: trace = 6.791967502136398 (1.63931e-09% change)
large trace change predicted (2.59003e-08%)
linmin: converged after 4 iterations.
iteration 135: trace = 6.791967500377262 (2.59002e-08% change)
linmin: converged after 30 iterations.
iteration 136: trace = 6.791967500303233 (1.08995e-09% change)
large trace change predicted (1.49122e-08%)
linmin: converged after 2 iterations.
iteration 137: trace = 6.791967499290397 (1.49123e-08% change)
linmin: converged after 4 iterations.
iteration 138: trace = 6.791967499234445 (8.23805e-10% change)
large trace change predicted (1.08059e-08%)
linmin: converged after 4 iterations.
iteration 139: trace = 6.791967498500507 (1.0806e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 140: trace = 6.791967498334164 (2.44912e-09% change)
linmin: converged after 30 iterations.
iteration 141: trace = 6.791967498254754 (1.16918e-09% change)
large trace change predicted (3.81809e-09%)
linmin: converged after 9 iterations.
iteration 142: trace = 6.79196749799543 (3.81809e-09% change)
linmin: converged after 23 iterations.
iteration 143: trace = 6.79196749794482 (7.45148e-10% change)
large trace change predicted (4.68143e-09%)
linmin: converged after 4 iterations.
iteration 144: trace = 6.791967497626859 (4.68142e-09% change)
linmin: converged after 17 iterations.
iteration 145: trace = 6.791967497596886 (4.41306e-10% change)
large trace change predicted (6.65759e-09%)
linmin: converged after 4 iterations.
iteration 146: trace = 6.791967497144714 (6.65745e-09% change)
linmin: converged after 15 iterations.
iteration 147: trace = 6.791967497128221 (2.42838e-10% change)
large trace change predicted (4.64755e-09%)
linmin: converged after 13 iterations.
iteration 148: trace = 6.791967496812549 (4.64772e-09% change)
linmin: converged after 22 iterations.
iteration 149: trace = 6.791967496783056 (4.34231e-10% change)
large trace change predicted (1.8846e-09%)
linmin: converged after 3 iterations.
iteration 150: trace = 6.791967496655055 (1.88459e-09% change)
linmin: converged after 5 iterations.
iteration 151: trace = 6.791967496643834 (1.65213e-10% change)
large trace change predicted (1.76711e-09%)
linmin: converged after 20 iterations.
iteration 152: trace = 6.791967496523808 (1.76717e-09% change)
linmin: converged after 6 iterations.
iteration 153: trace = 6.791967496517151 (9.80113e-11% change)
Finished solving for bands 1 to 8 after 153 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489
elapsed time for k point: 2.3793716430664062
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.779233662613292 (0.0293394% change)
large trace change predicted (0.119593%)
linmin: converged after 4 iterations.
iteration 2: trace = 6.771228730676621 (0.11815% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.767888516656562 (0.0493417% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.766771631127858 (0.0165041% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.765535637176449 (0.0182673% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.765292073661334 (0.00360013% change)
large trace change predicted (0.0160506%)
linmin: converged after 4 iterations.
iteration 7: trace = 6.764215417296434 (0.0159157% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.764074531351157 (0.00208283% change)
large trace change predicted (0.00881703%)
linmin: converged after 4 iterations.
iteration 9: trace = 6.76347833436666 (0.00881456% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.763113180777198 (0.00539905% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.762840562813345 (0.00403103% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.762590213357559 (0.00370191% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.762500265914912 (0.00133008% change)
large trace change predicted (0.00531666%)
linmin: converged after 3 iterations.
iteration 14: trace = 6.762138865384413 (0.00534433% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.762074386137362 (0.000953538% change)
large trace change predicted (0.00413297%)
linmin: converged after 3 iterations.
iteration 16: trace = 6.761792967852388 (0.0041618% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.761638007231685 (0.00229174% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.761443532342174 (0.00287619% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.761354010678641 (0.00132401% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.76131176236402 (0.000624852% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.761229213826009 (0.0012209% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.761215114069401 (0.000208539% change)
large trace change predicted (0.00158179%)
linmin: converged after 3 iterations.
iteration 23: trace = 6.761108202603172 (0.00158126% change)
linmin: converged after 6 iterations.
iteration 24: trace = 6.761091262548052 (0.000250552% change)
large trace change predicted (0.00137182%)
linmin: converged after 3 iterations.
iteration 25: trace = 6.760998500904947 (0.001372% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.760977540918202 (0.000310014% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.760936818602294 (0.000602316% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.760921245870161 (0.000230334% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.760910140766615 (0.000164254% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.760890267409732 (0.000293945% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.760887279606997 (4.41925e-05% change)
large trace change predicted (0.000191503%)
linmin: converged after 4 iterations.
iteration 32: trace = 6.76087432380865 (0.000191629% change)
linmin: converged after 5 iterations.
iteration 33: trace = 6.760866479924875 (0.000116019% change)
linmin: converged after 6 iterations.
iteration 34: trace = 6.760856609052698 (0.000146% change)
linmin: converged after 4 iterations.
iteration 35: trace = 6.760848850846902 (0.000114752% change)
linmin: converged after 4 iterations.
iteration 36: trace = 6.760841846916914 (0.000103595% change)
linmin: converged after 5 iterations.
iteration 37: trace = 6.760835956037811 (8.71324e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.760832922137637 (4.48746e-05% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.760829248087384 (5.43432e-05% change)
linmin: converged after 7 iterations.
iteration 40: trace = 6.760828391113448 (1.26756e-05% change)
large trace change predicted (5.84605e-05%)
linmin: converged after 5 iterations.
iteration 41: trace = 6.760824439385647 (5.84504e-05% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.760823785391183 (9.6733e-06% change)
large trace change predicted (5.63834e-05%)
linmin: converged after 3 iterations.
iteration 43: trace = 6.760819975198059 (5.6357e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.760819020343801 (1.41234e-05% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.760817398079341 (2.39951e-05% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.760816323511408 (1.58941e-05% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.760816115112642 (3.08245e-06% change)
large trace change predicted (1.47954e-05%)
linmin: converged after 5 iterations.
iteration 48: trace = 6.76081511475625 (1.47964e-05% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.760815018399315 (1.42523e-06% change)
large trace change predicted (1.20633e-05%)
linmin: converged after 4 iterations.
iteration 50: trace = 6.760814202728658 (1.20647e-05% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.760814120506232 (1.21616e-06% change)
large trace change predicted (7.45288e-06%)
linmin: converged after 3 iterations.
iteration 52: trace = 6.760813616582729 (7.45359e-06% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.760813488287585 (1.89763e-06% change)
large trace change predicted (5.56532e-06%)
linmin: converged after 3 iterations.
iteration 54: trace = 6.760813112035367 (5.56519e-06% change)
linmin: converged after 5 iterations.
iteration 55: trace = 6.760812918398767 (2.8641e-06% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.760812805893701 (1.66408e-06% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.760812646718302 (2.35438e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 6.760812619024847 (4.09617e-07% change)
large trace change predicted (1.70591e-06%)
linmin: converged after 3 iterations.
iteration 59: trace = 6.760812503693161 (1.70588e-06% change)
linmin: converged after 14 iterations.
iteration 60: trace = 6.760812471727117 (4.72814e-07% change)
large trace change predicted (1.43361e-06%)
linmin: converged after 3 iterations.
iteration 61: trace = 6.76081237480401 (1.4336e-06% change)
linmin: converged after 4 iterations.
iteration 62: trace = 6.760812349747429 (3.70615e-07% change)
linmin: converged after 17 iterations.
iteration 63: trace = 6.760812314229788 (5.25346e-07% change)
linmin: converged after 3 iterations.
iteration 64: trace = 6.760812295449118 (2.77787e-07% change)
linmin: converged after 20 iterations.
iteration 65: trace = 6.760812271116999 (3.59899e-07% change)
linmin: converged after 4 iterations.
iteration 66: trace = 6.76081224084399 (4.47772e-07% change)
linmin: converged after 16 iterations.
iteration 67: trace = 6.760812234776371 (8.97469e-08% change)
large trace change predicted (3.74055e-07%)
linmin: converged after 2 iterations.
iteration 68: trace = 6.760812209486301 (3.74069e-07% change)
linmin: converged after 7 iterations.
iteration 69: trace = 6.760812207260066 (3.29285e-08% change)
resetting CG direction...
linmin: converged after 6 iterations.
iteration 70: trace = 6.760812205380207 (2.78052e-08% change)
large trace change predicted (1.24909e-07%)
linmin: converged after 4 iterations.
iteration 71: trace = 6.760812196935282 (1.2491e-07% change)
linmin: converged after 4 iterations.
iteration 72: trace = 6.760812194740354 (3.24654e-08% change)
large trace change predicted (8.68792e-08%)
linmin: converged after 13 iterations.
iteration 73: trace = 6.760812188866579 (8.68797e-08% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.760812184724538 (6.12654e-08% change)
linmin: converged after 22 iterations.
iteration 75: trace = 6.760812181341919 (5.00327e-08% change)
linmin: converged after 19 iterations.
iteration 76: trace = 6.760812177223904 (6.09101e-08% change)
linmin: converged after 17 iterations.
iteration 77: trace = 6.760812174274005 (4.36323e-08% change)
large trace change predicted (1.00514e-07%)
linmin: converged after 4 iterations.
iteration 78: trace = 6.760812167478436 (1.00514e-07% change)
linmin: converged after 19 iterations.
iteration 79: trace = 6.760812165891807 (2.3468e-08% change)
large trace change predicted (8.21563e-08%)
linmin: converged after 26 iterations.
iteration 80: trace = 6.760812160337361 (8.21565e-08% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.76081215907644 (1.86504e-08% change)
large trace change predicted (6.15184e-08%)
linmin: converged after 7 iterations.
iteration 82: trace = 6.760812154917349 (6.15176e-08% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.760812151232336 (5.45055e-08% change)
linmin: converged after 17 iterations.
iteration 84: trace = 6.760812150102741 (1.6708e-08% change)
linmin: converged after 7 iterations.
iteration 85: trace = 6.760812149057777 (1.54562e-08% change)
linmin: converged after 4 iterations.
iteration 86: trace = 6.760812148328064 (1.07933e-08% change)
linmin: converged after 8 iterations.
iteration 87: trace = 6.760812147806423 (7.71566e-09% change)
linmin: converged after 5 iterations.
iteration 88: trace = 6.760812146972909 (1.23286e-08% change)
linmin: converged after 18 iterations.
iteration 89: trace = 6.760812146792507 (2.66835e-09% change)
large trace change predicted (1.05487e-08%)
linmin: converged after 4 iterations.
iteration 90: trace = 6.760812146079321 (1.05488e-08% change)
linmin: converged after 4 iterations.
iteration 91: trace = 6.76081214588122 (2.93012e-09% change)
large trace change predicted (9.16672e-09%)
linmin: converged after 4 iterations.
iteration 92: trace = 6.760812145261479 (9.16667e-09% change)
linmin: converged after 6 iterations.
iteration 93: trace = 6.760812144890995 (5.47988e-09% change)
linmin: converged after 18 iterations.
iteration 94: trace = 6.760812144766787 (1.83718e-09% change)
large trace change predicted (3.94247e-09%)
linmin: converged after 10 iterations.
iteration 95: trace = 6.760812144500255 (3.9423e-09% change)
linmin: converged after 21 iterations.
iteration 96: trace = 6.760812144457378 (6.34196e-10% change)
large trace change predicted (2.12111e-09%)
linmin: converged after 8 iterations.
iteration 97: trace = 6.76081214431397 (2.12116e-09% change)
linmin: converged after 5 iterations.
iteration 98: trace = 6.760812144230774 (1.23056e-09% change)
linmin: converged after 4 iterations.
iteration 99: trace = 6.76081214416757 (9.34866e-10% change)
linmin: converged after 4 iterations.
iteration 100: trace = 6.760812144072368 (1.40815e-09% change)
linmin: converged after 15 iterations.
iteration 101: trace = 6.760812144043551 (4.26235e-10% change)
large trace change predicted (1.03597e-09%)
linmin: converged after 4 iterations.
iteration 102: trace = 6.760812143973515 (1.0359e-09% change)
linmin: converged after 6 iterations.
iteration 103: trace = 6.760812143964135 (1.38742e-10% change)
large trace change predicted (5.84988e-10%)
linmin: converged after 2 iterations.
iteration 104: trace = 6.760812143924595 (5.84853e-10% change)
linmin: converged after 6 iterations.
iteration 105: trace = 6.760812143886893 (5.57646e-10% change)
linmin: converged after 22 iterations.
iteration 106: trace = 6.760812143881644 (7.76406e-11% change)
Finished solving for bands 1 to 8 after 106 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406
elapsed time for k point: 1.6500945091247559
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.812819508219988 (0.0683417% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.809521845247693 (0.0484155% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.806878728174198 (0.0388226% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.806531546238578 (0.00510059% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.805858812313465 (0.00988414% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.805278629640603 (0.00852512% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.805018729206464 (0.00381917% change)
large trace change predicted (0.00764415%)
linmin: converged after 4 iterations.
iteration 8: trace = 6.80449975807835 (0.00762659% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.804166040104378 (0.00490449% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.803799208365732 (0.00539143% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.803510143705532 (0.00424867% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.803404286916172 (0.00155593% change)
large trace change predicted (0.00417119%)
linmin: converged after 3 iterations.
iteration 13: trace = 6.803119569359131 (0.00418502% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.802867686857146 (0.00370252% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.802805672849434 (0.00091159% change)
large trace change predicted (0.0037265%)
linmin: converged after 3 iterations.
iteration 16: trace = 6.802551008999021 (0.00374358% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.802508927733024 (0.000618612% change)
large trace change predicted (0.00153195%)
linmin: converged after 3 iterations.
iteration 18: trace = 6.802404655808074 (0.00153286% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.802277520587534 (0.00186899% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.802247414972667 (0.000442582% change)
large trace change predicted (0.00128702%)
linmin: converged after 3 iterations.
iteration 21: trace = 6.802159763826145 (0.00128857% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.802097108498234 (0.000921114% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.802077230209528 (0.000292238% change)
large trace change predicted (0.00072329%)
linmin: converged after 4 iterations.
iteration 24: trace = 6.802028030225554 (0.000723311% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.802006232245031 (0.000320463% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.801991480857499 (0.000216868% change)
linmin: converged after 13 iterations.
iteration 27: trace = 6.801969336139529 (0.000325563% change)
linmin: converged after 5 iterations.
iteration 28: trace = 6.801957256082648 (0.000177597% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.801951800071285 (8.02124e-05% change)
large trace change predicted (0.00022194%)
linmin: converged after 4 iterations.
iteration 30: trace = 6.801936705854001 (0.00022191% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.801934035172881 (3.92635e-05% change)
large trace change predicted (0.000217614%)
linmin: converged after 5 iterations.
iteration 32: trace = 6.801919236975676 (0.000217559% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.80191452512863 (6.92723e-05% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.801907420469828 (0.000104451% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.801902690706328 (6.95359e-05% change)
linmin: converged after 5 iterations.
iteration 36: trace = 6.801901466978578 (1.7991e-05% change)
large trace change predicted (5.37537e-05%)
linmin: converged after 3 iterations.
iteration 37: trace = 6.801897810855744 (5.37515e-05% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.801895847802752 (2.88604e-05% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.801893985013194 (2.73863e-05% change)
linmin: converged after 19 iterations.
iteration 40: trace = 6.801891470055961 (3.69744e-05% change)
linmin: converged after 5 iterations.
iteration 41: trace = 6.80189069006492 (1.14673e-05% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.801889235253484 (2.13883e-05% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.801888192197239 (1.53348e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.801887967651422 (3.30123e-06% change)
large trace change predicted (7.31743e-06%)
linmin: converged after 3 iterations.
iteration 45: trace = 6.801887469940185 (7.31725e-06% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.801886974159298 (7.28887e-06% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.801886743571457 (3.39006e-06% change)
large trace change predicted (1.27356e-05%)
linmin: converged after 3 iterations.
iteration 48: trace = 6.801885877252749 (1.27364e-05% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.801885687267485 (2.79313e-06% change)
linmin: converged after 24 iterations.
iteration 50: trace = 6.801885358673595 (4.83092e-06% change)
linmin: converged after 4 iterations.
iteration 51: trace = 6.801885210568678 (2.17741e-06% change)
linmin: converged after 12 iterations.
iteration 52: trace = 6.801885140350342 (1.03234e-06% change)
linmin: converged after 8 iterations.
iteration 53: trace = 6.801885017801631 (1.80169e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 6.801884971862796 (6.75384e-07% change)
large trace change predicted (1.65889e-06%)
linmin: converged after 2 iterations.
iteration 55: trace = 6.801884859025914 (1.65891e-06% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.801884765491366 (1.37513e-06% change)
linmin: converged after 5 iterations.
iteration 57: trace = 6.801884741932468 (3.46358e-07% change)
large trace change predicted (7.34039e-07%)
linmin: converged after 2 iterations.
iteration 58: trace = 6.801884692003786 (7.34042e-07% change)
linmin: converged after 5 iterations.
iteration 59: trace = 6.80188466050531 (4.63085e-07% change)
linmin: converged after 21 iterations.
iteration 60: trace = 6.801884645428476 (2.21657e-07% change)
linmin: converged after 20 iterations.
iteration 61: trace = 6.801884621153685 (3.56883e-07% change)
linmin: converged after 6 iterations.
iteration 62: trace = 6.80188460993198 (1.64979e-07% change)
linmin: converged after 7 iterations.
iteration 63: trace = 6.801884594016375 (2.33988e-07% change)
linmin: converged after 7 iterations.
iteration 64: trace = 6.801884582177701 (1.7405e-07% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.801884576433165 (8.44551e-08% change)
linmin: converged after 4 iterations.
iteration 66: trace = 6.801884566571959 (1.44978e-07% change)
linmin: converged after 25 iterations.
iteration 67: trace = 6.801884562689891 (5.70734e-08% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.801884555497646 (1.05739e-07% change)
linmin: converged after 10 iterations.
iteration 69: trace = 6.801884548994815 (9.56034e-08% change)
resetting CG direction...
linmin: converged after 12 iterations.
iteration 70: trace = 6.801884547515387 (2.17503e-08% change)
linmin: converged after 6 iterations.
iteration 71: trace = 6.801884545360386 (3.16824e-08% change)
linmin: converged after 5 iterations.
iteration 72: trace = 6.801884544064887 (1.90462e-08% change)
linmin: converged after 6 iterations.
iteration 73: trace = 6.801884543138418 (1.36208e-08% change)
linmin: converged after 6 iterations.
iteration 74: trace = 6.801884541735411 (2.06267e-08% change)
linmin: converged after 18 iterations.
iteration 75: trace = 6.801884541326608 (6.01014e-09% change)
large trace change predicted (1.77761e-08%)
linmin: converged after 4 iterations.
iteration 76: trace = 6.801884540117523 (1.77757e-08% change)
linmin: converged after 4 iterations.
iteration 77: trace = 6.801884539500458 (9.07197e-09% change)
linmin: converged after 6 iterations.
iteration 78: trace = 6.80188453908594 (6.09417e-09% change)
linmin: converged after 4 iterations.
iteration 79: trace = 6.801884538426486 (9.69516e-09% change)
linmin: converged after 10 iterations.
iteration 80: trace = 6.801884538218956 (3.05107e-09% change)
large trace change predicted (9.80955e-09%)
linmin: converged after 21 iterations.
iteration 81: trace = 6.801884537551715 (9.80965e-09% change)
linmin: converged after 6 iterations.
iteration 82: trace = 6.801884537139951 (6.05366e-09% change)
linmin: converged after 26 iterations.
iteration 83: trace = 6.801884536942101 (2.90876e-09% change)
linmin: converged after 3 iterations.
iteration 84: trace = 6.801884536586122 (5.23353e-09% change)
linmin: converged after 20 iterations.
iteration 85: trace = 6.801884536357644 (3.35905e-09% change)
linmin: converged after 4 iterations.
iteration 86: trace = 6.801884536233658 (1.82282e-09% change)
linmin: converged after 26 iterations.
iteration 87: trace = 6.801884536108722 (1.83678e-09% change)
linmin: converged after 16 iterations.
iteration 88: trace = 6.801884536055081 (7.88614e-10% change)
large trace change predicted (1.79266e-09%)
linmin: converged after 6 iterations.
iteration 89: trace = 6.801884535933144 (1.7927e-09% change)
linmin: converged after 24 iterations.
iteration 90: trace = 6.801884535899444 (4.95453e-10% change)
large trace change predicted (1.23487e-09%)
linmin: converged after 25 iterations.
iteration 91: trace = 6.801884535815449 (1.23488e-09% change)
linmin: converged after 6 iterations.
iteration 92: trace = 6.801884535773334 (6.19163e-10% change)
linmin: converged after 15 iterations.
iteration 93: trace = 6.801884535753365 (2.93592e-10% change)
linmin: converged after 9 iterations.
iteration 94: trace = 6.801884535731968 (3.14563e-10% change)
linmin: converged after 2 iterations.
iteration 95: trace = 6.801884535713657 (2.69213e-10% change)
linmin: converged after 4 iterations.
iteration 96: trace = 6.801884535706489 (1.05377e-10% change)
large trace change predicted (2.25567e-10%)
linmin: converged after 4 iterations.
iteration 97: trace = 6.801884535691138 (2.25692e-10% change)
linmin: converged after 15 iterations.
iteration 98: trace = 6.801884535674619 (2.42863e-10% change)
linmin: converged after 2 iterations.
iteration 99: trace = 6.801884535667632 (1.02713e-10% change)
large trace change predicted (2.20302e-10%)
linmin: converged after 8 iterations.
iteration 100: trace = 6.801884535652651 (2.20246e-10% change)
linmin: converged after 5 iterations.
iteration 101: trace = 6.801884535649956 (3.96305e-11% change)
Finished solving for bands 1 to 8 after 101 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351
elapsed time for k point: 1.57252836227417
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.925881798292199 (0.0869816% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.9229225259514 (0.0427369% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.920648508630198 (0.032853% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.919688694130618 (0.0138698% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.9192786056375 (0.00592658% change)
large trace change predicted (0.0145666%)
linmin: converged after 4 iterations.
iteration 6: trace = 6.918274799994855 (0.0145084% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.91757301330911 (0.0101445% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.91717042170276 (0.00582001% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.916380858719524 (0.0114152% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.915938475163338 (0.00639638% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.915627887978417 (0.00449099% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.915057595538192 (0.00824677% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.914570526779777 (0.00704384% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.91442336897636 (0.00212825% change)
large trace change predicted (0.00433627%)
linmin: converged after 3 iterations.
iteration 15: trace = 6.914122171751801 (0.00435617% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.913960746784396 (0.00233474% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.913682758315103 (0.00402076% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.913569624543927 (0.00163639% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.91334352257579 (0.00327046% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.913263031312358 (0.0011643% change)
linmin: converged after 15 iterations.
iteration 21: trace = 6.913199861543292 (0.000913752% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.913142044518144 (0.000836331% change)
linmin: converged after 6 iterations.
iteration 23: trace = 6.913116163816769 (0.00037437% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.913090515482353 (0.00037101% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.913046805634677 (0.000632279% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.913020774091535 (0.000376557% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.913001674697812 (0.000276282% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.912976749113279 (0.000360562% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.912971244996962 (7.96201e-05% change)
large trace change predicted (0.000181474%)
linmin: converged after 3 iterations.
iteration 30: trace = 6.912958702065374 (0.000181441% change)
linmin: converged after 15 iterations.
iteration 31: trace = 6.912946620631539 (0.000174765% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.912941200300708 (7.84084e-05% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.912933462689976 (0.000111929% change)
linmin: converged after 12 iterations.
iteration 34: trace = 6.912927788569319 (8.20798e-05% change)
linmin: converged after 4 iterations.
iteration 35: trace = 6.912925543877318 (3.24709e-05% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.912923366452396 (3.14979e-05% change)
linmin: converged after 4 iterations.
iteration 37: trace = 6.912920253757397 (4.50272e-05% change)
linmin: converged after 4 iterations.
iteration 38: trace = 6.91291918583872 (1.54482e-05% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.91291752131117 (2.40785e-05% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.91291631802408 (1.74064e-05% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.912915796698972 (7.54132e-06% change)
linmin: converged after 2 iterations.
iteration 42: trace = 6.912915208180214 (8.51332e-06% change)
linmin: converged after 2 iterations.
iteration 43: trace = 6.912914546415715 (9.57287e-06% change)
linmin: converged after 2 iterations.
iteration 44: trace = 6.912914250440259 (4.28149e-06% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.912913754122829 (7.17957e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 6.912913166100848 (8.50614e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.912912879055559 (4.15231e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.912912672755615 (2.98427e-06% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.91291252359359 (2.15773e-06% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.912912437158742 (1.25034e-06% change)
linmin: converged after 4 iterations.
iteration 51: trace = 6.912912301843973 (1.95742e-06% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.912912141120616 (2.32497e-06% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.912912094963387 (6.67696e-07% change)
large trace change predicted (1.37508e-06%)
linmin: converged after 4 iterations.
iteration 54: trace = 6.912911999899769 (1.37516e-06% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.912911938686116 (8.85497e-07% change)
linmin: converged after 5 iterations.
iteration 56: trace = 6.912911893521379 (6.53339e-07% change)
linmin: converged after 6 iterations.
iteration 57: trace = 6.912911841729086 (7.49211e-07% change)
linmin: converged after 2 iterations.
iteration 58: trace = 6.912911791218241 (7.30674e-07% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.912911779594948 (1.68139e-07% change)
large trace change predicted (3.68251e-07%)
linmin: converged after 2 iterations.
iteration 60: trace = 6.912911754138028 (3.68252e-07% change)
linmin: converged after 16 iterations.
iteration 61: trace = 6.91291173524443 (2.73309e-07% change)
linmin: converged after 5 iterations.
iteration 62: trace = 6.912911721998706 (1.91608e-07% change)
large trace change predicted (4.53468e-07%)
linmin: converged after 5 iterations.
iteration 63: trace = 6.912911690652783 (4.5344e-07% change)
linmin: converged after 6 iterations.
iteration 64: trace = 6.912911672612801 (2.60961e-07% change)
linmin: converged after 5 iterations.
iteration 65: trace = 6.912911664103595 (1.23092e-07% change)
linmin: converged after 20 iterations.
iteration 66: trace = 6.912911654714987 (1.35813e-07% change)
linmin: converged after 2 iterations.
iteration 67: trace = 6.912911645869683 (1.27953e-07% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.912911641485165 (6.34251e-08% change)
large trace change predicted (1.86099e-07%)
linmin: converged after 16 iterations.
iteration 69: trace = 6.912911628620017 (1.86103e-07% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 70: trace = 6.912911623609482 (7.24808e-08% change)
linmin: converged after 16 iterations.
iteration 71: trace = 6.912911619950242 (5.29334e-08% change)
linmin: converged after 18 iterations.
iteration 72: trace = 6.912911615014117 (7.14044e-08% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.912911609923537 (7.36387e-08% change)
linmin: converged after 13 iterations.
iteration 74: trace = 6.912911600448374 (1.37065e-07% change)
large trace change predicted (7.005e-07%)
linmin: converged after 4 iterations.
iteration 75: trace = 6.912911552014634 (7.00627e-07% change)
large trace change predicted (3.26976e-06%)
linmin: converged after 4 iterations.
iteration 76: trace = 6.912911324882718 (3.28562e-06% change)
near maximum in trace
linmin: converged after 14 iterations.
iteration 77: trace = 6.909407411940434 (0.0506994% change)
linmin: converged after 14 iterations.
iteration 78: trace = 6.909407303259766 (1.57294e-06% change)
linmin: converged after 5 iterations.
iteration 79: trace = 6.909407194879683 (1.56859e-06% change)
linmin: converged after 6 iterations.
iteration 80: trace = 6.909407086803446 (1.56419e-06% change)
linmin: converged after 6 iterations.
iteration 81: trace = 6.909406979027686 (1.55984e-06% change)
linmin: converged after 5 iterations.
iteration 82: trace = 6.909406871560214 (1.55538e-06% change)
linmin: converged after 6 iterations.
iteration 83: trace = 6.909406764399476 (1.55094e-06% change)
linmin: converged after 6 iterations.
iteration 84: trace = 6.909406657546903 (1.54648e-06% change)
linmin: converged after 6 iterations.
iteration 85: trace = 6.909406551003777 (1.542e-06% change)
linmin: converged after 6 iterations.
iteration 86: trace = 6.909406444771263 (1.53751e-06% change)
linmin: converged after 6 iterations.
iteration 87: trace = 6.909406338847629 (1.53304e-06% change)
linmin: converged after 20 iterations.
iteration 88: trace = 6.909406233236654 (1.52851e-06% change)
linmin: converged after 14 iterations.
iteration 89: trace = 6.909406127939251 (1.52397e-06% change)
linmin: converged after 7 iterations.
iteration 90: trace = 6.909406022958676 (1.51939e-06% change)
linmin: converged after 15 iterations.
iteration 91: trace = 6.909405918293174 (1.51483e-06% change)
linmin: converged after 14 iterations.
iteration 92: trace = 6.909405813941406 (1.51029e-06% change)
linmin: converged after 5 iterations.
iteration 93: trace = 6.909405709907355 (1.50569e-06% change)
linmin: converged after 5 iterations.
iteration 94: trace = 6.909405606189644 (1.50111e-06% change)
linmin: converged after 19 iterations.
iteration 95: trace = 6.909405502788598 (1.49653e-06% change)
linmin: converged after 15 iterations.
iteration 96: trace = 6.90940539970425 (1.49194e-06% change)
linmin: converged after 7 iterations.
iteration 97: trace = 6.90940529693715 (1.48735e-06% change)
linmin: converged after 8 iterations.
iteration 98: trace = 6.909405194487154 (1.48276e-06% change)
linmin: converged after 5 iterations.
iteration 99: trace = 6.909405092353508 (1.47818e-06% change)
linmin: converged after 5 iterations.
iteration 100: trace = 6.909404990537729 (1.47358e-06% change)
linmin: converged after 8 iterations.
iteration 101: trace = 6.909404889038919 (1.46899e-06% change)
linmin: converged after 5 iterations.
iteration 102: trace = 6.909404787856076 (1.46442e-06% change)
linmin: converged after 11 iterations.
iteration 103: trace = 6.909404686990555 (1.45983e-06% change)
linmin: converged after 8 iterations.
iteration 104: trace = 6.909404586441252 (1.45525e-06% change)
linmin: converged after 8 iterations.
iteration 105: trace = 6.909404486205638 (1.45071e-06% change)
linmin: converged after 7 iterations.
iteration 106: trace = 6.90940438628765 (1.44612e-06% change)
linmin: converged after 8 iterations.
iteration 107: trace = 6.909404286684655 (1.44156e-06% change)
linmin: converged after 14 iterations.
iteration 108: trace = 6.909404187394779 (1.43703e-06% change)
linmin: converged after 8 iterations.
iteration 109: trace = 6.909404088420219 (1.43246e-06% change)
linmin: converged after 8 iterations.
iteration 110: trace = 6.9094039897583 (1.42794e-06% change)
linmin: converged after 8 iterations.
iteration 111: trace = 6.909403891408473 (1.42342e-06% change)
linmin: converged after 9 iterations.
iteration 112: trace = 6.909403793371282 (1.4189e-06% change)
linmin: converged after 7 iterations.
iteration 113: trace = 6.909403695644156 (1.41441e-06% change)
linmin: converged after 11 iterations.
iteration 114: trace = 6.909403598229497 (1.40989e-06% change)
linmin: converged after 15 iterations.
iteration 115: trace = 6.909403501123285 (1.40542e-06% change)
linmin: converged after 8 iterations.
iteration 116: trace = 6.909403404325506 (1.40096e-06% change)
linmin: converged after 6 iterations.
iteration 117: trace = 6.909403307835841 (1.3965e-06% change)
linmin: converged after 6 iterations.
iteration 118: trace = 6.909403211655174 (1.39203e-06% change)
linmin: converged after 5 iterations.
iteration 119: trace = 6.909403115779074 (1.38762e-06% change)
linmin: converged after 19 iterations.
iteration 120: trace = 6.90940302021008 (1.38317e-06% change)
linmin: converged after 15 iterations.
iteration 121: trace = 6.909402924943801 (1.37879e-06% change)
linmin: converged after 5 iterations.
iteration 122: trace = 6.90940282998096 (1.3744e-06% change)
linmin: converged after 11 iterations.
iteration 123: trace = 6.909402735322186 (1.37e-06% change)
linmin: converged after 8 iterations.
iteration 124: trace = 6.909402640963187 (1.36566e-06% change)
linmin: converged after 19 iterations.
iteration 125: trace = 6.909402546904536 (1.36131e-06% change)
linmin: converged after 10 iterations.
iteration 126: trace = 6.909402453145184 (1.35698e-06% change)
linmin: converged after 7 iterations.
iteration 127: trace = 6.909402359684876 (1.35265e-06% change)
linmin: converged after 8 iterations.
iteration 128: trace = 6.909402266520806 (1.34837e-06% change)
linmin: converged after 5 iterations.
iteration 129: trace = 6.909402173653994 (1.34406e-06% change)
linmin: converged after 15 iterations.
iteration 130: trace = 6.909402081082199 (1.33979e-06% change)
linmin: converged after 10 iterations.
iteration 131: trace = 6.909401988802639 (1.33557e-06% change)
linmin: converged after 6 iterations.
iteration 132: trace = 6.909401896816838 (1.33131e-06% change)
linmin: converged after 10 iterations.
iteration 133: trace = 6.909401805122543 (1.32709e-06% change)
linmin: converged after 6 iterations.
iteration 134: trace = 6.909401713717047 (1.32291e-06% change)
linmin: converged after 12 iterations.
iteration 135: trace = 6.909401622601867 (1.31871e-06% change)
linmin: converged after 7 iterations.
iteration 136: trace = 6.909401531773128 (1.31457e-06% change)
linmin: converged after 11 iterations.
iteration 137: trace = 6.909401441232235 (1.3104e-06% change)
linmin: converged after 18 iterations.
iteration 138: trace = 6.909401350976032 (1.30628e-06% change)
linmin: converged after 5 iterations.
iteration 139: trace = 6.909401261003318 (1.30218e-06% change)
resetting CG direction...
large trace change predicted (0.111831%)
linmin: converged after 4 iterations.
iteration 140: trace = 6.901922701401765 (0.108296% change)
linmin: converged after 4 iterations.
iteration 141: trace = 6.889246761849792 (0.183827% change)
linmin: converged after 4 iterations.
iteration 142: trace = 6.879314220704985 (0.144279% change)
linmin: converged after 4 iterations.
iteration 143: trace = 6.871993578724105 (0.106472% change)
linmin: converged after 4 iterations.
iteration 144: trace = 6.85905677008803 (0.188431% change)
linmin: converged after 4 iterations.
iteration 145: trace = 6.846561881925398 (0.182332% change)
linmin: converged after 4 iterations.
iteration 146: trace = 6.837774882420545 (0.128424% change)
large trace change predicted (0.261264%)
linmin: converged after 5 iterations.
iteration 147: trace = 6.82038659448041 (0.254621% change)
linmin: converged after 4 iterations.
iteration 148: trace = 6.811549309755332 (0.129656% change)
linmin: converged after 4 iterations.
iteration 149: trace = 6.803010641167304 (0.125434% change)
linmin: converged after 3 iterations.
iteration 150: trace = 6.795772549221677 (0.106452% change)
linmin: converged after 4 iterations.
iteration 151: trace = 6.786305906325278 (0.139399% change)
linmin: converged after 4 iterations.
iteration 152: trace = 6.776389595229094 (0.146229% change)
linmin: converged after 4 iterations.
iteration 153: trace = 6.762501080820075 (0.205165% change)
linmin: converged after 4 iterations.
iteration 154: trace = 6.753170385803704 (0.138072% change)
linmin: converged after 4 iterations.
iteration 155: trace = 6.743925282478452 (0.136994% change)
linmin: converged after 4 iterations.
iteration 156: trace = 6.736994478099864 (0.102824% change)
linmin: converged after 4 iterations.
iteration 157: trace = 6.732878238745272 (0.0611177% change)
linmin: converged after 4 iterations.
iteration 158: trace = 6.726657933453791 (0.0924297% change)
linmin: converged after 4 iterations.
iteration 159: trace = 6.721195120311202 (0.0812444% change)
linmin: converged after 4 iterations.
iteration 160: trace = 6.717648620160626 (0.0527798% change)
linmin: converged after 4 iterations.
iteration 161: trace = 6.713194200918324 (0.0663312% change)
linmin: converged after 4 iterations.
iteration 162: trace = 6.710505505507571 (0.0400589% change)
linmin: converged after 3 iterations.
iteration 163: trace = 6.706901370255015 (0.0537233% change)
linmin: converged after 4 iterations.
iteration 164: trace = 6.705010608124311 (0.0281953% change)
linmin: converged after 3 iterations.
iteration 165: trace = 6.701887653654738 (0.0465873% change)
linmin: converged after 3 iterations.
iteration 166: trace = 6.700031905240058 (0.0276938% change)
linmin: converged after 3 iterations.
iteration 167: trace = 6.697510883943405 (0.0376341% change)
linmin: converged after 3 iterations.
iteration 168: trace = 6.695584231985491 (0.0287708% change)
linmin: converged after 3 iterations.
iteration 169: trace = 6.693804050386154 (0.0265909% change)
linmin: converged after 3 iterations.
iteration 170: trace = 6.692039961790896 (0.0263575% change)
linmin: converged after 4 iterations.
iteration 171: trace = 6.690949984623433 (0.016289% change)
linmin: converged after 3 iterations.
iteration 172: trace = 6.68902122164707 (0.0288306% change)
linmin: converged after 5 iterations.
iteration 173: trace = 6.688226203086087 (0.0118861% change)
linmin: converged after 3 iterations.
iteration 174: trace = 6.687474377184295 (0.0112417% change)
linmin: converged after 3 iterations.
iteration 175: trace = 6.686715446510494 (0.0113492% change)
linmin: converged after 3 iterations.
iteration 176: trace = 6.68595815685937 (0.0113259% change)
linmin: converged after 3 iterations.
iteration 177: trace = 6.685279864678321 (0.0101455% change)
linmin: converged after 3 iterations.
iteration 178: trace = 6.68492616710768 (0.00529083% change)
large trace change predicted (0.0113286%)
linmin: converged after 3 iterations.
iteration 179: trace = 6.684160010954856 (0.0114616% change)
linmin: converged after 3 iterations.
iteration 180: trace = 6.683795301710827 (0.00545647% change)
linmin: converged after 3 iterations.
iteration 181: trace = 6.683426309249661 (0.00552085% change)
linmin: converged after 3 iterations.
iteration 182: trace = 6.683087980183506 (0.00506234% change)
linmin: converged after 3 iterations.
iteration 183: trace = 6.682763608494613 (0.00485374% change)
linmin: converged after 3 iterations.
iteration 184: trace = 6.68241451451494 (0.00522393% change)
linmin: converged after 3 iterations.
iteration 185: trace = 6.682218185893361 (0.00293803% change)
linmin: converged after 3 iterations.
iteration 186: trace = 6.681916579890395 (0.00451366% change)
linmin: converged after 3 iterations.
iteration 187: trace = 6.681779640604578 (0.00204942% change)
linmin: converged after 5 iterations.
iteration 188: trace = 6.681606952405319 (0.0025845% change)
linmin: converged after 3 iterations.
iteration 189: trace = 6.681488504299757 (0.00177276% change)
linmin: converged after 3 iterations.
iteration 190: trace = 6.681358270711396 (0.00194919% change)
linmin: converged after 19 iterations.
iteration 191: trace = 6.681230235127352 (0.00191633% change)
linmin: converged after 5 iterations.
iteration 192: trace = 6.681128825531117 (0.00151784% change)
linmin: converged after 4 iterations.
iteration 193: trace = 6.680953873403051 (0.00261864% change)
linmin: converged after 3 iterations.
iteration 194: trace = 6.680873366488424 (0.00120503% change)
linmin: converged after 8 iterations.
iteration 195: trace = 6.680765389287529 (0.00161623% change)
linmin: converged after 5 iterations.
iteration 196: trace = 6.680693384687361 (0.0010778% change)
linmin: converged after 8 iterations.
iteration 197: trace = 6.680621052228344 (0.00108271% change)
linmin: converged after 4 iterations.
iteration 198: trace = 6.680572671609273 (0.000724196% change)
linmin: converged after 5 iterations.
iteration 199: trace = 6.680536488810626 (0.000541614% change)
linmin: converged after 3 iterations.
iteration 200: trace = 6.680481376118935 (0.000824977% change)
linmin: converged after 5 iterations.
iteration 201: trace = 6.680455499665584 (0.000387345% change)
linmin: converged after 3 iterations.
iteration 202: trace = 6.68041564127453 (0.000596644% change)
linmin: converged after 3 iterations.
iteration 203: trace = 6.680384072110439 (0.000472564% change)
linmin: converged after 3 iterations.
iteration 204: trace = 6.680340622965251 (0.000650401% change)
linmin: converged after 3 iterations.
iteration 205: trace = 6.680309706798488 (0.000462794% change)
linmin: converged after 3 iterations.
iteration 206: trace = 6.680284458954871 (0.000377945% change)
linmin: converged after 3 iterations.
iteration 207: trace = 6.680246429181477 (0.000569285% change)
linmin: converged after 5 iterations.
iteration 208: trace = 6.680230557518507 (0.000237591% change)
linmin: converged after 3 iterations.
iteration 209: trace = 6.680212664956146 (0.000267844% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 6.680199266028111 (0.000200577% change)
linmin: converged after 4 iterations.
iteration 211: trace = 6.680176330009624 (0.000343344% change)
linmin: converged after 3 iterations.
iteration 212: trace = 6.680157131936122 (0.000287389% change)
linmin: converged after 4 iterations.
iteration 213: trace = 6.680148385961573 (0.000130925% change)
large trace change predicted (0.0002685%)
linmin: converged after 3 iterations.
iteration 214: trace = 6.680130453617168 (0.000268443% change)
linmin: converged after 5 iterations.
iteration 215: trace = 6.680117119527826 (0.000199608% change)
linmin: converged after 4 iterations.
iteration 216: trace = 6.68011165523421 (8.17994e-05% change)
linmin: converged after 3 iterations.
iteration 217: trace = 6.680105070060253 (9.85788e-05% change)
linmin: converged after 3 iterations.
iteration 218: trace = 6.680099229064786 (8.74387e-05% change)
linmin: converged after 9 iterations.
iteration 219: trace = 6.680096911225478 (3.46977e-05% change)
linmin: converged after 4 iterations.
iteration 220: trace = 6.680092842385695 (6.09099e-05% change)
linmin: converged after 3 iterations.
iteration 221: trace = 6.680089179732932 (5.48294e-05% change)
linmin: converged after 4 iterations.
iteration 222: trace = 6.680087434299887 (2.61289e-05% change)
large trace change predicted (5.58737e-05%)
linmin: converged after 3 iterations.
iteration 223: trace = 6.680083701498131 (5.58796e-05% change)
linmin: converged after 3 iterations.
iteration 224: trace = 6.680080072951409 (5.43189e-05% change)
linmin: converged after 4 iterations.
iteration 225: trace = 6.680078801599461 (1.9032e-05% change)
linmin: converged after 3 iterations.
iteration 226: trace = 6.680076350868536 (3.66872e-05% change)
linmin: converged after 4 iterations.
iteration 227: trace = 6.680074690080565 (2.48618e-05% change)
linmin: converged after 9 iterations.
iteration 228: trace = 6.680073351032185 (2.00454e-05% change)
linmin: converged after 3 iterations.
iteration 229: trace = 6.680072854503119 (7.43299e-06% change)
linmin: converged after 3 iterations.
iteration 230: trace = 6.68007209099912 (1.14296e-05% change)
linmin: converged after 3 iterations.
iteration 231: trace = 6.680071248553808 (1.26113e-05% change)
linmin: converged after 5 iterations.
iteration 232: trace = 6.68007096020888 (4.31649e-06% change)
large trace change predicted (1.18528e-05%)
linmin: converged after 3 iterations.
iteration 233: trace = 6.680070168333757 (1.18543e-05% change)
linmin: converged after 3 iterations.
iteration 234: trace = 6.680069654245933 (7.69584e-06% change)
linmin: converged after 3 iterations.
iteration 235: trace = 6.680069400467938 (3.79903e-06% change)
linmin: converged after 3 iterations.
iteration 236: trace = 6.680069104628129 (4.42869e-06% change)
linmin: converged after 3 iterations.
iteration 237: trace = 6.680068901394954 (3.04238e-06% change)
linmin: converged after 7 iterations.
iteration 238: trace = 6.68006881640772 (1.27225e-06% change)
linmin: converged after 4 iterations.
iteration 239: trace = 6.680068659756556 (2.34505e-06% change)
linmin: converged after 11 iterations.
iteration 240: trace = 6.680068550664888 (1.63309e-06% change)
linmin: converged after 4 iterations.
iteration 241: trace = 6.680068504921119 (6.8478e-07% change)
linmin: converged after 4 iterations.
iteration 242: trace = 6.680068425445534 (1.18974e-06% change)
linmin: converged after 5 iterations.
iteration 243: trace = 6.680068372309567 (7.9544e-07% change)
linmin: converged after 4 iterations.
iteration 244: trace = 6.68006834950997 (3.41308e-07% change)
linmin: converged after 3 iterations.
iteration 245: trace = 6.680068316253641 (4.97844e-07% change)
linmin: converged after 3 iterations.
iteration 246: trace = 6.680068281843501 (5.15117e-07% change)
linmin: converged after 8 iterations.
iteration 247: trace = 6.680068263937255 (2.68055e-07% change)
linmin: converged after 5 iterations.
iteration 248: trace = 6.680068250330845 (2.03687e-07% change)
linmin: converged after 5 iterations.
iteration 249: trace = 6.680068235014073 (2.29291e-07% change)
linmin: converged after 5 iterations.
iteration 250: trace = 6.680068219577296 (2.31087e-07% change)
linmin: converged after 5 iterations.
iteration 251: trace = 6.680068209701298 (1.47843e-07% change)
linmin: converged after 4 iterations.
iteration 252: trace = 6.680068201057148 (1.29402e-07% change)
linmin: converged after 4 iterations.
iteration 253: trace = 6.680068196844695 (6.306e-08% change)
linmin: converged after 6 iterations.
iteration 254: trace = 6.680068194298988 (3.8109e-08% change)
linmin: converged after 6 iterations.
iteration 255: trace = 6.680068189734076 (6.83363e-08% change)
linmin: converged after 4 iterations.
iteration 256: trace = 6.680068185375805 (6.52429e-08% change)
linmin: converged after 4 iterations.
iteration 257: trace = 6.680068184273248 (1.65052e-08% change)
linmin: converged after 4 iterations.
iteration 258: trace = 6.680068182522309 (2.62114e-08% change)
linmin: converged after 15 iterations.
iteration 259: trace = 6.68006818105756 (2.19271e-08% change)
linmin: converged after 4 iterations.
iteration 260: trace = 6.680068180494168 (8.43394e-09% change)
linmin: converged after 4 iterations.
iteration 261: trace = 6.680068179768361 (1.08653e-08% change)
linmin: converged after 4 iterations.
iteration 262: trace = 6.680068179147947 (9.28753e-09% change)
linmin: converged after 4 iterations.
iteration 263: trace = 6.680068178733466 (6.20475e-09% change)
linmin: converged after 4 iterations.
iteration 264: trace = 6.680068178533025 (3.00058e-09% change)
large trace change predicted (6.16407e-09%)
linmin: converged after 4 iterations.
iteration 265: trace = 6.680068178121238 (6.16441e-09% change)
linmin: converged after 4 iterations.
iteration 266: trace = 6.680068177961954 (2.38447e-09% change)
linmin: converged after 4 iterations.
iteration 267: trace = 6.680068177761544 (3.00012e-09% change)
linmin: converged after 4 iterations.
iteration 268: trace = 6.680068177602848 (2.37565e-09% change)
linmin: converged after 13 iterations.
iteration 269: trace = 6.680068177506453 (1.44302e-09% change)
linmin: converged after 3 iterations.
iteration 270: trace = 6.680068177433323 (1.09476e-09% change)
linmin: converged after 4 iterations.
iteration 271: trace = 6.680068177338332 (1.422e-09% change)
linmin: converged after 16 iterations.
iteration 272: trace = 6.680068177279097 (8.86747e-10% change)
linmin: converged after 3 iterations.
iteration 273: trace = 6.680068177249511 (4.42888e-10% change)
linmin: converged after 4 iterations.
iteration 274: trace = 6.680068177203202 (6.93251e-10% change)
linmin: converged after 15 iterations.
iteration 275: trace = 6.680068177160675 (6.36623e-10% change)
linmin: converged after 5 iterations.
iteration 276: trace = 6.680068177145829 (2.22242e-10% change)
linmin: converged after 6 iterations.
iteration 277: trace = 6.680068177120615 (3.77445e-10% change)
linmin: converged after 2 iterations.
iteration 278: trace = 6.680068177111693 (1.33571e-10% change)
linmin: converged after 13 iterations.
iteration 279: trace = 6.680068177098545 (1.9682e-10% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 280: trace = 6.680068177092141 (9.58638e-11% change)
Finished solving for bands 1 to 8 after 280 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133
elapsed time for k point: 4.43816351890564
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.654587473689109 (0.0686629% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.650159753500438 (0.0665585% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.648179168070059 (0.029787% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.647534184460929 (0.00970213% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.646966615404791 (0.0085384% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.645994017622721 (0.0146333% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.645304729701829 (0.010372% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.644933056210284 (0.00559318% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.644423335852698 (0.00767111% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.644201156406162 (0.0033439% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.643990279910868 (0.00317389% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.643843516962854 (0.00220898% change)
linmin: converged after 5 iterations.
iteration 13: trace = 6.64356475664805 (0.00419586% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.643279223213847 (0.00429799% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.64307162450148 (0.00312499% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.64297479951876 (0.00145754% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.642909148385201 (0.000988284% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.642890172549851 (0.000285656% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.642868866693247 (0.000320732% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.642841257630105 (0.00041562% change)
linmin: converged after 7 iterations.
iteration 21: trace = 6.642822878207463 (0.000276681% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.642805066181122 (0.00026814% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.642791440748623 (0.000205116% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.642785630165085 (8.74721e-05% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.642782971944859 (4.00167e-05% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.642780010487694 (4.45816e-05% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.642778215782385 (2.70174e-05% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.642777033708898 (1.77949e-05% change)
large trace change predicted (3.72446e-05%)
linmin: converged after 5 iterations.
iteration 29: trace = 6.642774560627688 (3.72296e-05% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.642773633112364 (1.39628e-05% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.642772722801835 (1.37038e-05% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.642771828223156 (1.34669e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.642770875717687 (1.4339e-05% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.642770553609214 (4.84901e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 6.642770128424434 (6.40071e-06% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.642769885743741 (3.65331e-06% change)
linmin: converged after 5 iterations.
iteration 37: trace = 6.642769776756667 (1.64069e-06% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.642769636192451 (2.11605e-06% change)
linmin: converged after 2 iterations.
iteration 39: trace = 6.64276952985813 (1.60075e-06% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.64276948221908 (7.17156e-07% change)
linmin: converged after 2 iterations.
iteration 41: trace = 6.642769417339405 (9.76696e-07% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.6427693807117 (5.51392e-07% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.642769352213377 (4.29013e-07% change)
linmin: converged after 4 iterations.
iteration 44: trace = 6.64276933500741 (2.59018e-07% change)
linmin: converged after 4 iterations.
iteration 45: trace = 6.642769308410065 (4.00395e-07% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.64276929558259 (1.93104e-07% change)
linmin: converged after 15 iterations.
iteration 47: trace = 6.642769286017307 (1.43995e-07% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.642769278110246 (1.19033e-07% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.642769268633557 (1.42662e-07% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.642769264678993 (5.95319e-08% change)
linmin: converged after 4 iterations.
iteration 51: trace = 6.642769258340143 (9.54248e-08% change)
linmin: converged after 4 iterations.
iteration 52: trace = 6.642769254869387 (5.22486e-08% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.642769253457879 (2.12488e-08% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.642769251332982 (3.19881e-08% change)
linmin: converged after 5 iterations.
iteration 55: trace = 6.642769250070252 (1.90091e-08% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.642769249311944 (1.14155e-08% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.642769248104532 (1.81763e-08% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.642769246932681 (1.7641e-08% change)
linmin: converged after 24 iterations.
iteration 59: trace = 6.642769246510039 (6.36244e-09% change)
linmin: converged after 7 iterations.
iteration 60: trace = 6.642769246056337 (6.83e-09% change)
linmin: converged after 8 iterations.
iteration 61: trace = 6.642769245799185 (3.87116e-09% change)
linmin: converged after 5 iterations.
iteration 62: trace = 6.642769245599225 (3.01019e-09% change)
linmin: converged after 6 iterations.
iteration 63: trace = 6.642769245362293 (3.56677e-09% change)
linmin: converged after 4 iterations.
iteration 64: trace = 6.642769245060769 (4.53912e-09% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.64276924497992 (1.2171e-09% change)
linmin: converged after 3 iterations.
iteration 66: trace = 6.642769244865909 (1.71632e-09% change)
linmin: converged after 3 iterations.
iteration 67: trace = 6.642769244785438 (1.21142e-09% change)
linmin: converged after 2 iterations.
iteration 68: trace = 6.642769244741226 (6.65562e-10% change)
linmin: converged after 16 iterations.
iteration 69: trace = 6.64276924469701 (6.65629e-10% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 70: trace = 6.642769244673424 (3.55056e-10% change)
linmin: converged after 16 iterations.
iteration 71: trace = 6.642769244658249 (2.2845e-10% change)
linmin: converged after 6 iterations.
iteration 72: trace = 6.642769244637283 (3.15613e-10% change)
linmin: converged after 9 iterations.
iteration 73: trace = 6.642769244619499 (2.6772e-10% change)
linmin: converged after 4 iterations.
iteration 74: trace = 6.642769244609692 (1.47638e-10% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.642769244598619 (1.66691e-10% change)
linmin: converged after 3 iterations.
iteration 76: trace = 6.642769244581716 (2.54456e-10% change)
linmin: converged after 17 iterations.
iteration 77: trace = 6.642769244576439 (7.94481e-11% change)
Finished solving for bands 1 to 8 after 77 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829
elapsed time for k point: 1.2016732692718506
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.687429231640419 (0.117813% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.682646867031265 (0.0715383% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.679627759806239 (0.0451885% change)
linmin: converged after 5 iterations.
iteration 4: trace = 6.674424626067543 (0.0779259% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.670593887939423 (0.0574108% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.669532519250804 (0.0159124% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.668698910283753 (0.0124995% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.667450154203845 (0.0187274% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.666854298069175 (0.00893719% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.666561044023348 (0.00439878% change)
large trace change predicted (0.0103227%)
linmin: converged after 3 iterations.
iteration 11: trace = 6.665873849220906 (0.0103086% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.665343892343184 (0.00795061% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.664960722616507 (0.00574885% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.664471827485924 (0.00733557% change)
linmin: converged after 5 iterations.
iteration 15: trace = 6.664343409130835 (0.00192693% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.664235402926991 (0.00162067% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.664099943254497 (0.00203266% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.663928209547941 (0.00257703% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.663861687818067 (0.000998241% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.663812771949349 (0.00073405% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.663735502864748 (0.00115954% change)
linmin: converged after 5 iterations.
iteration 22: trace = 6.66367466614615 (0.000912956% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.663634526974308 (0.00060236% change)
linmin: converged after 7 iterations.
iteration 24: trace = 6.663593038759096 (0.000622608% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.663573597875551 (0.000291748% change)
linmin: converged after 5 iterations.
iteration 26: trace = 6.663564028497367 (0.000143607% change)
linmin: converged after 9 iterations.
iteration 27: trace = 6.66354904793401 (0.000224813% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.663543235825781 (8.72225e-05% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.66353963112206 (5.40959e-05% change)
linmin: converged after 5 iterations.
iteration 30: trace = 6.663536020928598 (5.41783e-05% change)
large trace change predicted (0.000126931%)
linmin: converged after 3 iterations.
iteration 31: trace = 6.663527560499054 (0.000126966% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.663522796309925 (7.14965e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.663519837202252 (4.44076e-05% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.663516772772216 (4.59882e-05% change)
linmin: converged after 4 iterations.
iteration 35: trace = 6.663513850280391 (4.38581e-05% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.663512817819473 (1.54942e-05% change)
large trace change predicted (3.44727e-05%)
linmin: converged after 5 iterations.
iteration 37: trace = 6.66351052050736 (3.4476e-05% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.663509473943975 (1.57059e-05% change)
linmin: converged after 2 iterations.
iteration 39: trace = 6.663509059441019 (6.22049e-06% change)
large trace change predicted (1.53072e-05%)
linmin: converged after 4 iterations.
iteration 40: trace = 6.663508039374552 (1.53082e-05% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.663507363208089 (1.01473e-05% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.663506896333666 (7.00644e-06% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.663506558684439 (5.06714e-06% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.663506414193118 (2.1684e-06% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.663506331223576 (1.24513e-06% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.663506214966994 (1.74468e-06% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.663506039883719 (2.62749e-06% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.663505983850816 (8.40892e-07% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.663505907541484 (1.14518e-06% change)
linmin: converged after 5 iterations.
iteration 50: trace = 6.663505851042529 (8.47886e-07% change)
linmin: converged after 6 iterations.
iteration 51: trace = 6.663505805259885 (6.87065e-07% change)
linmin: converged after 13 iterations.
iteration 52: trace = 6.663505790502363 (2.21468e-07% change)
linmin: converged after 25 iterations.
iteration 53: trace = 6.663505766535184 (3.59678e-07% change)
linmin: converged after 4 iterations.
iteration 54: trace = 6.663505741504925 (3.75632e-07% change)
linmin: converged after 22 iterations.
iteration 55: trace = 6.663505723706266 (2.67107e-07% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.663505707385099 (2.44934e-07% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.663505697273749 (1.51742e-07% change)
linmin: converged after 5 iterations.
iteration 58: trace = 6.663505694691338 (3.87545e-08% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.663505691929068 (4.14537e-08% change)
linmin: converged after 7 iterations.
iteration 60: trace = 6.663505688934807 (4.49352e-08% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.663505686194938 (4.11175e-08% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.663505684948923 (1.86991e-08% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.663505683328056 (2.43245e-08% change)
linmin: converged after 13 iterations.
iteration 64: trace = 6.663505682008949 (1.9796e-08% change)
linmin: converged after 11 iterations.
iteration 65: trace = 6.663505681304827 (1.05668e-08% change)
linmin: converged after 6 iterations.
iteration 66: trace = 6.663505680001291 (1.95623e-08% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.663505679184945 (1.2251e-08% change)
linmin: converged after 23 iterations.
iteration 68: trace = 6.66350567874791 (6.55864e-09% change)
linmin: converged after 7 iterations.
iteration 69: trace = 6.663505678470032 (4.17015e-09% change)
resetting CG direction...
linmin: converged after 2 iterations.
iteration 70: trace = 6.663505678326204 (2.15844e-09% change)
linmin: converged after 4 iterations.
iteration 71: trace = 6.663505678226792 (1.49189e-09% change)
linmin: converged after 13 iterations.
iteration 72: trace = 6.663505678093929 (1.99388e-09% change)
linmin: converged after 5 iterations.
iteration 73: trace = 6.663505677966341 (1.91474e-09% change)
linmin: converged after 26 iterations.
iteration 74: trace = 6.6635056779092 (8.57521e-10% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.663505677805585 (1.55496e-09% change)
linmin: converged after 6 iterations.
iteration 76: trace = 6.66350567774166 (9.59328e-10% change)
linmin: converged after 11 iterations.
iteration 77: trace = 6.663505677713226 (4.26714e-10% change)
linmin: converged after 12 iterations.
iteration 78: trace = 6.663505677677864 (5.30681e-10% change)
linmin: converged after 3 iterations.
iteration 79: trace = 6.663505677642716 (5.27468e-10% change)
linmin: converged after 3 iterations.
iteration 80: trace = 6.663505677622147 (3.08686e-10% change)
linmin: converged after 8 iterations.
iteration 81: trace = 6.66350567759535 (4.02136e-10% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.663505677568827 (3.98044e-10% change)
linmin: converged after 18 iterations.
iteration 83: trace = 6.663505677549109 (2.95904e-10% change)
linmin: converged after 6 iterations.
iteration 84: trace = 6.663505677537502 (1.74183e-10% change)
linmin: converged after 15 iterations.
iteration 85: trace = 6.663505677527904 (1.44046e-10% change)
linmin: converged after 3 iterations.
iteration 86: trace = 6.663505677520201 (1.15602e-10% change)
linmin: converged after 3 iterations.
iteration 87: trace = 6.663505677515447 (7.13368e-11% change)
Finished solving for bands 1 to 8 after 87 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114
elapsed time for k point: 1.3574659824371338
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.744447307474669 (0.144043% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.737973941565899 (0.0960268% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.7321417456039 (0.0865946% change)
linmin: converged after 8 iterations.
iteration 4: trace = 6.724828793447526 (0.108686% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.721434238463905 (0.0504907% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.718962204375529 (0.0367851% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.71754313371084 (0.0211226% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.716463676546428 (0.0160705% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.715767540221497 (0.0103652% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.714605751396071 (0.0173009% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.713521993031621 (0.0161416% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.712581835798039 (0.0140049% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.711589814736715 (0.0147796% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.710907669805348 (0.0101642% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.710743952061529 (0.00243961% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.710422647110722 (0.00478803% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.710149736315026 (0.00406705% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.709926499306195 (0.00332691% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.70961522287071 (0.00463915% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.709383090015506 (0.00345976% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.709272386637894 (0.00164999% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.709164433611233 (0.00160903% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.709082283800279 (0.00122445% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.709040657597047 (0.000620447% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.709012986509509 (0.000412446% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.708973601273001 (0.000587051% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.708949150197562 (0.000364454% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.708939654361957 (0.00014154% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.708921851625929 (0.000265359% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.708911468656734 (0.000154764% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.708903821429137 (0.000113986% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.708893718396827 (0.000150592% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.708883944390179 (0.000145687% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.708879439394104 (6.71497e-05% change)
linmin: converged after 4 iterations.
iteration 35: trace = 6.708871489175596 (0.000118503% change)
linmin: converged after 5 iterations.
iteration 36: trace = 6.708866031173947 (8.1355e-05% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.708863196863298 (4.22472e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.708860828992563 (3.52947e-05% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.708858447879621 (3.54921e-05% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.708856997908971 (2.16128e-05% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.708854902056788 (3.12401e-05% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.708852610114659 (3.41629e-05% change)
linmin: converged after 4 iterations.
iteration 43: trace = 6.708851929347248 (1.01473e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.70885123765442 (1.03102e-05% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.708850275606772 (1.434e-05% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.708849646092554 (9.38334e-06% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.708848882344398 (1.13842e-05% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.70884831289677 (8.48801e-06% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.708847878955357 (6.4682e-06% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.708847658426974 (3.28713e-06% change)
large trace change predicted (7.009e-06%)
linmin: converged after 3 iterations.
iteration 51: trace = 6.708847188186793 (7.00925e-06% change)
linmin: converged after 4 iterations.
iteration 52: trace = 6.708846832159407 (5.30683e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 6.70884661927558 (3.17318e-06% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.708846387828648 (3.44988e-06% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.708846177691116 (3.13225e-06% change)
linmin: converged after 2 iterations.
iteration 56: trace = 6.708846099872972 (1.15993e-06% change)
linmin: converged after 3 iterations.
iteration 57: trace = 6.708845988805979 (1.65553e-06% change)
linmin: converged after 18 iterations.
iteration 58: trace = 6.708845926158713 (9.33801e-07% change)
linmin: converged after 16 iterations.
iteration 59: trace = 6.708845871833847 (8.0975e-07% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.708845822810293 (7.3073e-07% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.708845760354881 (9.30941e-07% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.70884574299585 (2.58748e-07% change)
linmin: converged after 2 iterations.
iteration 63: trace = 6.708845724911501 (2.6956e-07% change)
linmin: converged after 5 iterations.
iteration 64: trace = 6.708845702105487 (3.39939e-07% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.708845680311983 (3.24847e-07% change)
linmin: converged after 12 iterations.
iteration 66: trace = 6.708845664242044 (2.39534e-07% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.708845650776603 (2.00712e-07% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.708845645403581 (8.00886e-08% change)
linmin: converged after 3 iterations.
iteration 69: trace = 6.708845642039955 (5.01372e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 6.708845640022787 (3.00673e-08% change)
linmin: converged after 6 iterations.
iteration 71: trace = 6.708845637674559 (3.5002e-08% change)
linmin: converged after 24 iterations.
iteration 72: trace = 6.708845634534506 (4.68047e-08% change)
linmin: converged after 13 iterations.
iteration 73: trace = 6.708845632985962 (2.30821e-08% change)
linmin: converged after 23 iterations.
iteration 74: trace = 6.708845630876028 (3.145e-08% change)
linmin: converged after 6 iterations.
iteration 75: trace = 6.708845629670838 (1.79642e-08% change)
linmin: converged after 6 iterations.
iteration 76: trace = 6.708845628755188 (1.36484e-08% change)
linmin: converged after 4 iterations.
iteration 77: trace = 6.708845628229398 (7.83727e-09% change)
large trace change predicted (2.4866e-08%)
linmin: converged after 2 iterations.
iteration 78: trace = 6.708845626561165 (2.48662e-08% change)
linmin: converged after 4 iterations.
iteration 79: trace = 6.708845625403788 (1.72515e-08% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.708845624796508 (9.05194e-09% change)
linmin: converged after 19 iterations.
iteration 81: trace = 6.708845624335558 (6.87079e-09% change)
linmin: converged after 4 iterations.
iteration 82: trace = 6.708845623794145 (8.07014e-09% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.708845623392814 (5.98211e-09% change)
linmin: converged after 21 iterations.
iteration 84: trace = 6.708845623153993 (3.5598e-09% change)
linmin: converged after 6 iterations.
iteration 85: trace = 6.708845622824449 (4.91207e-09% change)
linmin: converged after 4 iterations.
iteration 86: trace = 6.708845622522188 (4.50541e-09% change)
linmin: converged after 18 iterations.
iteration 87: trace = 6.708845622387536 (2.00707e-09% change)
linmin: converged after 6 iterations.
iteration 88: trace = 6.708845622195887 (2.85667e-09% change)
linmin: converged after 18 iterations.
iteration 89: trace = 6.70884562208388 (1.66955e-09% change)
linmin: converged after 5 iterations.
iteration 90: trace = 6.708845622027289 (8.43531e-10% change)
linmin: converged after 19 iterations.
iteration 91: trace = 6.708845621977007 (7.49481e-10% change)
linmin: converged after 4 iterations.
iteration 92: trace = 6.708845621907859 (1.0307e-09% change)
linmin: converged after 2 iterations.
iteration 93: trace = 6.708845621870026 (5.63925e-10% change)
linmin: converged after 4 iterations.
iteration 94: trace = 6.708845621841363 (4.27246e-10% change)
linmin: converged after 13 iterations.
iteration 95: trace = 6.708845621811631 (4.43173e-10% change)
linmin: converged after 4 iterations.
iteration 96: trace = 6.708845621769525 (6.27617e-10% change)
linmin: converged after 4 iterations.
iteration 97: trace = 6.708845621746176 (3.48025e-10% change)
linmin: converged after 3 iterations.
iteration 98: trace = 6.708845621736186 (1.48911e-10% change)
linmin: converged after 13 iterations.
iteration 99: trace = 6.708845621726324 (1.47005e-10% change)
linmin: converged after 6 iterations.
iteration 100: trace = 6.70884562171491 (1.70133e-10% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.708845621705029 (1.47283e-10% change)
linmin: converged after 3 iterations.
iteration 102: trace = 6.708845621699838 (7.73682e-11% change)
Finished solving for bands 1 to 8 after 102 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305
elapsed time for k point: 1.5809903144836426
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.789698640861451 (0.215819% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.777922877737041 (0.173586% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.769206258646129 (0.128686% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.763253551367551 (0.0879767% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.760899926657764 (0.0348062% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.75868135455443 (0.0328201% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.757086651767944 (0.0235977% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.755832192494575 (0.0185668% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.754118495440428 (0.0253694% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.751749081141424 (0.0350872% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.749302805579795 (0.0362383% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.748516481467488 (0.0116511% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.747249224483678 (0.0187801% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.746632665005198 (0.00913836% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.745834466951791 (0.0118318% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.745082856580287 (0.0111425% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.743977418317787 (0.0163901% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.743390381107973 (0.00870499% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.743072677318737 (0.00471145% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.742715957521778 (0.00529031% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.742464018739581 (0.00373653% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.742330318042049 (0.00198298% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.742122762263762 (0.00307845% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.742003826489738 (0.00176409% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.741880968194836 (0.0018223% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.741788400386207 (0.00137304% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.741624608073153 (0.00242954% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.741503272403072 (0.00179981% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.741388489363317 (0.00170265% change)
linmin: converged after 6 iterations.
iteration 30: trace = 6.741262264059208 (0.00187241% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.741141893549124 (0.00178559% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.741091947525104 (0.000740916% change)
large trace change predicted (0.00157119%)
linmin: converged after 3 iterations.
iteration 33: trace = 6.740986068049176 (0.00157067% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.740890539396183 (0.00141714% change)
linmin: converged after 5 iterations.
iteration 35: trace = 6.740821369864309 (0.00102612% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.740737626272201 (0.00124234% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.740661828964681 (0.00112447% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.740629875908607 (0.000474036% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.740602082860931 (0.000412322% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.74057055677319 (0.000467705% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.740536129170447 (0.000510753% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.740511930362675 (0.000359005% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.740477774219896 (0.00050673% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.740464323511324 (0.000199551% change)
linmin: converged after 5 iterations.
iteration 45: trace = 6.740454927655737 (0.000139395% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.740442913037723 (0.000178247% change)
linmin: converged after 4 iterations.
iteration 47: trace = 6.740433220338594 (0.000143799% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.740427239839696 (8.87258e-05% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.740422387232863 (7.19926e-05% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.740416731179712 (8.39125e-05% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.740414147974462 (3.83241e-05% change)
linmin: converged after 4 iterations.
iteration 52: trace = 6.740411996825589 (3.19142e-05% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.740409269503295 (4.04623e-05% change)
linmin: converged after 5 iterations.
iteration 54: trace = 6.740406805457891 (3.65563e-05% change)
linmin: converged after 4 iterations.
iteration 55: trace = 6.740405527763937 (1.89557e-05% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.74040426729544 (1.87002e-05% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.740403728431312 (7.99454e-06% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.74040343821672 (4.3056e-06% change)
linmin: converged after 7 iterations.
iteration 59: trace = 6.74040294381777 (7.33486e-06% change)
linmin: converged after 5 iterations.
iteration 60: trace = 6.740402141835069 (1.18981e-05% change)
linmin: converged after 3 iterations.
iteration 61: trace = 6.740401774569884 (5.44871e-06% change)
linmin: converged after 4 iterations.
iteration 62: trace = 6.740401383698345 (5.79894e-06% change)
linmin: converged after 21 iterations.
iteration 63: trace = 6.740401213335247 (2.52749e-06% change)
linmin: converged after 6 iterations.
iteration 64: trace = 6.740401083429761 (1.92727e-06% change)
linmin: converged after 3 iterations.
iteration 65: trace = 6.740400960821545 (1.819e-06% change)
linmin: converged after 20 iterations.
iteration 66: trace = 6.740400775719694 (2.74615e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.740400708161001 (1.00229e-06% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.740400660070397 (7.13468e-07% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.740400622547428 (5.56688e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.740400603121152 (2.88207e-07% change)
linmin: converged after 25 iterations.
iteration 71: trace = 6.740400587234104 (2.35699e-07% change)
linmin: converged after 3 iterations.
iteration 72: trace = 6.740400563942032 (3.45559e-07% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.74040053383458 (4.46672e-07% change)
linmin: converged after 2 iterations.
iteration 74: trace = 6.740400521561845 (1.82077e-07% change)
linmin: converged after 2 iterations.
iteration 75: trace = 6.740400502327783 (2.85355e-07% change)
linmin: converged after 2 iterations.
iteration 76: trace = 6.740400485760162 (2.45796e-07% change)
linmin: converged after 3 iterations.
iteration 77: trace = 6.740400468354878 (2.58223e-07% change)
linmin: converged after 7 iterations.
iteration 78: trace = 6.740400451032714 (2.5699e-07% change)
linmin: converged after 8 iterations.
iteration 79: trace = 6.740400430663469 (3.02196e-07% change)
linmin: converged after 3 iterations.
iteration 80: trace = 6.740400419605584 (1.64054e-07% change)
linmin: converged after 4 iterations.
iteration 81: trace = 6.740400411510347 (1.201e-07% change)
linmin: converged after 4 iterations.
iteration 82: trace = 6.740400400770022 (1.59343e-07% change)
linmin: converged after 5 iterations.
iteration 83: trace = 6.740400386870794 (2.06208e-07% change)
linmin: converged after 5 iterations.
iteration 84: trace = 6.740400376234819 (1.57794e-07% change)
linmin: converged after 5 iterations.
iteration 85: trace = 6.740400359188582 (2.52896e-07% change)
linmin: converged after 7 iterations.
iteration 86: trace = 6.740400345750545 (1.99366e-07% change)
linmin: converged after 2 iterations.
iteration 87: trace = 6.740400338469746 (1.08017e-07% change)
linmin: converged after 4 iterations.
iteration 88: trace = 6.740400333643833 (7.15968e-08% change)
linmin: converged after 4 iterations.
iteration 89: trace = 6.740400326303956 (1.08894e-07% change)
linmin: converged after 4 iterations.
iteration 90: trace = 6.740400316352233 (1.47643e-07% change)
linmin: converged after 4 iterations.
iteration 91: trace = 6.740400308721648 (1.13207e-07% change)
linmin: converged after 4 iterations.
iteration 92: trace = 6.740400300062985 (1.28459e-07% change)
linmin: converged after 9 iterations.
iteration 93: trace = 6.740400294141174 (8.78555e-08% change)
linmin: converged after 4 iterations.
iteration 94: trace = 6.740400290913058 (4.7892e-08% change)
linmin: converged after 18 iterations.
iteration 95: trace = 6.740400289497243 (2.10049e-08% change)
large trace change predicted (5.2805e-08%)
linmin: converged after 4 iterations.
iteration 96: trace = 6.740400285937942 (5.28055e-08% change)
linmin: converged after 3 iterations.
iteration 97: trace = 6.740400283463217 (3.67148e-08% change)
linmin: converged after 4 iterations.
iteration 98: trace = 6.74040028134382 (3.14432e-08% change)
linmin: converged after 6 iterations.
iteration 99: trace = 6.740400280029284 (1.95023e-08% change)
linmin: converged after 14 iterations.
iteration 100: trace = 6.740400279556239 (7.01806e-09% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.740400278706889 (1.26009e-08% change)
linmin: converged after 9 iterations.
iteration 102: trace = 6.740400277957828 (1.1113e-08% change)
linmin: converged after 4 iterations.
iteration 103: trace = 6.74040027725008 (1.05001e-08% change)
linmin: converged after 6 iterations.
iteration 104: trace = 6.740400276415501 (1.23817e-08% change)
linmin: converged after 4 iterations.
iteration 105: trace = 6.740400275748151 (9.90076e-09% change)
linmin: converged after 15 iterations.
iteration 106: trace = 6.740400275449092 (4.43681e-09% change)
linmin: converged after 4 iterations.
iteration 107: trace = 6.740400275279894 (2.51021e-09% change)
linmin: converged after 3 iterations.
iteration 108: trace = 6.740400275008873 (4.02085e-09% change)
linmin: converged after 24 iterations.
iteration 109: trace = 6.740400274867506 (2.09731e-09% change)
linmin: converged after 7 iterations.
iteration 110: trace = 6.740400274745429 (1.81112e-09% change)
linmin: converged after 4 iterations.
iteration 111: trace = 6.740400274636625 (1.61421e-09% change)
linmin: converged after 15 iterations.
iteration 112: trace = 6.740400274539723 (1.43763e-09% change)
linmin: converged after 2 iterations.
iteration 113: trace = 6.740400274501827 (5.6222e-10% change)
linmin: converged after 4 iterations.
iteration 114: trace = 6.740400274460936 (6.06653e-10% change)
linmin: converged after 20 iterations.
iteration 115: trace = 6.740400274396968 (9.49016e-10% change)
linmin: converged after 4 iterations.
iteration 116: trace = 6.740400274346779 (7.44602e-10% change)
linmin: converged after 4 iterations.
iteration 117: trace = 6.740400274324457 (3.31176e-10% change)
linmin: converged after 10 iterations.
iteration 118: trace = 6.740400274300108 (3.61233e-10% change)
linmin: converged after 12 iterations.
iteration 119: trace = 6.740400274274156 (3.85017e-10% change)
linmin: converged after 5 iterations.
iteration 120: trace = 6.740400274255693 (2.73922e-10% change)
linmin: converged after 5 iterations.
iteration 121: trace = 6.740400274240774 (2.21333e-10% change)
linmin: converged after 4 iterations.
iteration 122: trace = 6.740400274235373 (8.0129e-11% change)
Finished solving for bands 1 to 8 after 122 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: 1.88887619972229
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.787869131036962 (0.213562% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.776022184685056 (0.174684% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.769929110656107 (0.0899616% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.767085903214131 (0.0420064% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.76529893784572 (0.0264102% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.763340738832111 (0.0289489% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.760043765597652 (0.0487596% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.757627129829937 (0.0357552% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.754120010583084 (0.0519122% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.751635291017786 (0.036795% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.749275841749045 (0.0349524% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.748513898439189 (0.0112899% change)
large trace change predicted (0.0342013%)
linmin: converged after 3 iterations.
iteration 13: trace = 6.746182767456395 (0.0345488% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.744300769664274 (0.0279011% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.742003412442922 (0.0340695% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.740281200562176 (0.0255478% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.739215643646952 (0.01581% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.738862055027246 (0.00524687% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.738332326270477 (0.00786111% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.737625986131111 (0.010483% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.737211471468036 (0.00615243% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.736596736496211 (0.00912489% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.736116024152479 (0.00713609% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.735569729691633 (0.00811026% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.735310739414691 (0.00384519% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.734879755717884 (0.00639907% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.734393207020597 (0.00722457% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.733901757301224 (0.00729788% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.733209964646174 (0.0102738% change)
linmin: converged after 5 iterations.
iteration 30: trace = 6.732349680864258 (0.0127775% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.731921993238844 (0.00635293% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.731461181293171 (0.00684541% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.731024364467298 (0.00648939% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.730758295826775 (0.00395295% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.730487963239781 (0.00401646% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.730155609994504 (0.00493815% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.729721020072288 (0.00645756% change)
linmin: converged after 4 iterations.
iteration 38: trace = 6.729527784822336 (0.00287141% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.729325321973416 (0.00300862% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.729238834151795 (0.00128525% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.729183792049949 (0.000817958% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.729120140138635 (0.000945913% change)
linmin: converged after 10 iterations.
iteration 43: trace = 6.729017048419902 (0.00153204% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.728962331344335 (0.000813154% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.728906736029314 (0.000826213% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.72886752280901 (0.000582759% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.728848431634932 (0.000283721% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.728839603454578 (0.000131199% change)
linmin: converged after 5 iterations.
iteration 49: trace = 6.728828041633498 (0.000171825% change)
linmin: converged after 5 iterations.
iteration 50: trace = 6.728815697425562 (0.000183453% change)
linmin: converged after 4 iterations.
iteration 51: trace = 6.728808307359564 (0.000109827% change)
linmin: converged after 5 iterations.
iteration 52: trace = 6.728797325368938 (0.000163209% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.728790329078553 (0.000103975% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.728785446676176 (7.25599e-05% change)
linmin: converged after 4 iterations.
iteration 55: trace = 6.728781938565318 (5.21359e-05% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.728777422778094 (6.71115e-05% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.728774451842456 (4.41527e-05% change)
linmin: converged after 5 iterations.
iteration 58: trace = 6.728770672016333 (5.61741e-05% change)
linmin: converged after 3 iterations.
iteration 59: trace = 6.728766387933817 (6.36682e-05% change)
linmin: converged after 4 iterations.
iteration 60: trace = 6.728759704415217 (9.93276e-05% change)
linmin: converged after 4 iterations.
iteration 61: trace = 6.728756010728964 (5.4894e-05% change)
linmin: converged after 4 iterations.
iteration 62: trace = 6.728751332586158 (6.95247e-05% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.728747964821566 (5.00504e-05% change)
linmin: converged after 4 iterations.
iteration 64: trace = 6.728746080846179 (2.79989e-05% change)
linmin: converged after 8 iterations.
iteration 65: trace = 6.728743719135814 (3.50988e-05% change)
linmin: converged after 3 iterations.
iteration 66: trace = 6.728741219553012 (3.71478e-05% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.728737882113636 (4.95998e-05% change)
linmin: converged after 4 iterations.
iteration 68: trace = 6.72873536428061 (3.74191e-05% change)
linmin: converged after 3 iterations.
iteration 69: trace = 6.728731340105782 (5.98058e-05% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 6.728730346437088 (1.47676e-05% change)
linmin: converged after 3 iterations.
iteration 71: trace = 6.7287296102217 (1.09414e-05% change)
linmin: converged after 5 iterations.
iteration 72: trace = 6.728728725309153 (1.31513e-05% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.728727749456139 (1.45028e-05% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.728727118022348 (9.38415e-06% change)
linmin: converged after 6 iterations.
iteration 75: trace = 6.728726359531559 (1.12724e-05% change)
linmin: converged after 4 iterations.
iteration 76: trace = 6.728725548381308 (1.2055e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 6.728725091502313 (6.78998e-06% change)
linmin: converged after 4 iterations.
iteration 78: trace = 6.728724368396527 (1.07466e-05% change)
linmin: converged after 3 iterations.
iteration 79: trace = 6.728723588971228 (1.15836e-05% change)
linmin: converged after 3 iterations.
iteration 80: trace = 6.728722668671786 (1.36772e-05% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.728722087357824 (8.63929e-06% change)
linmin: converged after 7 iterations.
iteration 82: trace = 6.728721147812294 (1.39632e-05% change)
linmin: converged after 13 iterations.
iteration 83: trace = 6.728720480630803 (9.91543e-06% change)
linmin: converged after 14 iterations.
iteration 84: trace = 6.728720022250231 (6.8123e-06% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.728719587217784 (6.46531e-06% change)
linmin: converged after 4 iterations.
iteration 86: trace = 6.728719152626347 (6.45875e-06% change)
linmin: converged after 11 iterations.
iteration 87: trace = 6.728718340375255 (1.20714e-05% change)
linmin: converged after 3 iterations.
iteration 88: trace = 6.728717407165203 (1.38691e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 6.728717031586748 (5.58172e-06% change)
linmin: converged after 3 iterations.
iteration 90: trace = 6.728716494221418 (7.98615e-06% change)
linmin: converged after 15 iterations.
iteration 91: trace = 6.728716173520308 (4.76616e-06% change)
linmin: converged after 3 iterations.
iteration 92: trace = 6.728715871447425 (4.48931e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 6.728715607440366 (3.92359e-06% change)
large trace change predicted (1.12189e-05%)
linmin: converged after 4 iterations.
iteration 94: trace = 6.728714852406108 (1.12211e-05% change)
linmin: converged after 3 iterations.
iteration 95: trace = 6.728714141787086 (1.0561e-05% change)
linmin: converged after 3 iterations.
iteration 96: trace = 6.728713790147111 (5.22596e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 6.728713564338646 (3.35589e-06% change)
linmin: converged after 4 iterations.
iteration 98: trace = 6.728713374813461 (2.81666e-06% change)
linmin: converged after 3 iterations.
iteration 99: trace = 6.728713158583984 (3.21353e-06% change)
linmin: converged after 8 iterations.
iteration 100: trace = 6.728713034371206 (1.84601e-06% change)
large trace change predicted (4.58519e-06%)
linmin: converged after 4 iterations.
iteration 101: trace = 6.728712725847025 (4.58519e-06% change)
linmin: converged after 2 iterations.
iteration 102: trace = 6.728712543886957 (2.70423e-06% change)
linmin: converged after 6 iterations.
iteration 103: trace = 6.728712456692896 (1.29585e-06% change)
linmin: converged after 2 iterations.
iteration 104: trace = 6.72871239495213 (9.17572e-07% change)
linmin: converged after 5 iterations.
iteration 105: trace = 6.728712336779145 (8.64549e-07% change)
linmin: converged after 4 iterations.
iteration 106: trace = 6.728712234119468 (1.5257e-06% change)
linmin: converged after 3 iterations.
iteration 107: trace = 6.728712175230691 (8.75186e-07% change)
linmin: converged after 5 iterations.
iteration 108: trace = 6.728712078390714 (1.43921e-06% change)
linmin: converged after 2 iterations.
iteration 109: trace = 6.728712037088355 (6.13823e-07% change)
linmin: converged after 4 iterations.
iteration 110: trace = 6.728712016997982 (2.98577e-07% change)
linmin: converged after 2 iterations.
iteration 111: trace = 6.7287119995814 (2.5884e-07% change)
linmin: converged after 5 iterations.
iteration 112: trace = 6.728711988167984 (1.69623e-07% change)
large trace change predicted (5.45653e-07%)
linmin: converged after 7 iterations.
iteration 113: trace = 6.728711951454009 (5.45632e-07% change)
linmin: converged after 7 iterations.
iteration 114: trace = 6.728711933875413 (2.61248e-07% change)
linmin: converged after 4 iterations.
iteration 115: trace = 6.728711912633354 (3.15693e-07% change)
linmin: converged after 6 iterations.
iteration 116: trace = 6.72871190060396 (1.78777e-07% change)
linmin: converged after 11 iterations.
iteration 117: trace = 6.728711892210939 (1.24734e-07% change)
linmin: converged after 4 iterations.
iteration 118: trace = 6.728711886442328 (8.57313e-08% change)
linmin: converged after 4 iterations.
iteration 119: trace = 6.72871187512406 (1.68209e-07% change)
linmin: converged after 9 iterations.
iteration 120: trace = 6.72871186029251 (2.20422e-07% change)
linmin: converged after 5 iterations.
iteration 121: trace = 6.728711852295838 (1.18844e-07% change)
linmin: converged after 6 iterations.
iteration 122: trace = 6.72871184597498 (9.39386e-08% change)
linmin: converged after 4 iterations.
iteration 123: trace = 6.728711840446691 (8.21597e-08% change)
linmin: converged after 3 iterations.
iteration 124: trace = 6.728711834879699 (8.27349e-08% change)
linmin: converged after 16 iterations.
iteration 125: trace = 6.728711831685318 (4.74739e-08% change)
large trace change predicted (1.16554e-07%)
linmin: converged after 4 iterations.
iteration 126: trace = 6.728711823842804 (1.16553e-07% change)
linmin: converged after 15 iterations.
iteration 127: trace = 6.728711818234581 (8.33477e-08% change)
linmin: converged after 3 iterations.
iteration 128: trace = 6.728711815038084 (4.75053e-08% change)
linmin: converged after 4 iterations.
iteration 129: trace = 6.728711812692525 (3.4859e-08% change)
large trace change predicted (8.41082e-08%)
linmin: converged after 7 iterations.
iteration 130: trace = 6.728711807033185 (8.41073e-08% change)
large trace change predicted (2.27277e-07%)
linmin: converged after 10 iterations.
iteration 131: trace = 6.728711791741209 (2.27265e-07% change)
linmin: converged after 5 iterations.
iteration 132: trace = 6.728711775495807 (2.41434e-07% change)
linmin: converged after 25 iterations.
iteration 133: trace = 6.728711762219022 (1.97315e-07% change)
linmin: converged after 6 iterations.
iteration 134: trace = 6.728711751589044 (1.57979e-07% change)
large trace change predicted (4.56093e-07%)
linmin: converged after 5 iterations.
iteration 135: trace = 6.72871172090052 (4.56083e-07% change)
large trace change predicted (9.31706e-07%)
linmin: converged after 2 iterations.
iteration 136: trace = 6.728711658205238 (9.31758e-07% change)
large trace change predicted (2.00472e-06%)
linmin: converged after 4 iterations.
iteration 137: trace = 6.728711523280785 (2.0052e-06% change)
near maximum in trace
linmin: converged after 16 iterations.
iteration 138: trace = 6.728496963236752 (0.00318877% change)
linmin: converged after 5 iterations.
iteration 139: trace = 6.72849605229283 (1.35386e-05% change)
resetting CG direction...
large trace change predicted (0.0179181%)
linmin: converged after 3 iterations.
iteration 140: trace = 6.72729169319085 (0.017901% change)
linmin: converged after 4 iterations.
iteration 141: trace = 6.726483360322989 (0.0120164% change)
linmin: converged after 4 iterations.
iteration 142: trace = 6.725829893003075 (0.00971532% change)
linmin: converged after 5 iterations.
iteration 143: trace = 6.72493366907636 (0.013326% change)
linmin: converged after 5 iterations.
iteration 144: trace = 6.724434967696377 (0.00741598% change)
large trace change predicted (0.0162821%)
linmin: converged after 3 iterations.
iteration 145: trace = 6.723335551737554 (0.0163509% change)
linmin: converged after 3 iterations.
iteration 146: trace = 6.721936913540786 (0.0208049% change)
linmin: converged after 3 iterations.
iteration 147: trace = 6.720860007019335 (0.0160221% change)
linmin: converged after 4 iterations.
iteration 148: trace = 6.720516129114879 (0.00511671% change)
linmin: converged after 3 iterations.
iteration 149: trace = 6.72005961410648 (0.00679309% change)
linmin: converged after 3 iterations.
iteration 150: trace = 6.719567695781137 (0.00732042% change)
linmin: converged after 4 iterations.
iteration 151: trace = 6.719097667685411 (0.00699516% change)
linmin: converged after 4 iterations.
iteration 152: trace = 6.718389091966365 (0.0105463% change)
linmin: converged after 4 iterations.
iteration 153: trace = 6.717747685615805 (0.00954748% change)
linmin: converged after 4 iterations.
iteration 154: trace = 6.717003451646676 (0.0110792% change)
linmin: converged after 4 iterations.
iteration 155: trace = 6.716649535030269 (0.0052691% change)
large trace change predicted (0.0112011%)
linmin: converged after 4 iterations.
iteration 156: trace = 6.715900341724358 (0.0111549% change)
linmin: converged after 4 iterations.
iteration 157: trace = 6.715057636495906 (0.0125487% change)
linmin: converged after 3 iterations.
iteration 158: trace = 6.714368047421658 (0.0102698% change)
large trace change predicted (0.0232645%)
linmin: converged after 4 iterations.
iteration 159: trace = 6.712809993748582 (0.0232075% change)
linmin: converged after 5 iterations.
iteration 160: trace = 6.710891996861516 (0.0285763% change)
linmin: converged after 4 iterations.
iteration 161: trace = 6.708745816543308 (0.0319857% change)
linmin: converged after 4 iterations.
iteration 162: trace = 6.70758660581581 (0.0172806% change)
linmin: converged after 4 iterations.
iteration 163: trace = 6.705379527826505 (0.0329096% change)
linmin: converged after 4 iterations.
iteration 164: trace = 6.703497346238292 (0.0280737% change)
linmin: converged after 4 iterations.
iteration 165: trace = 6.700595878303398 (0.0432923% change)
linmin: converged after 9 iterations.
iteration 166: trace = 6.696527313068026 (0.0607379% change)
linmin: converged after 5 iterations.
iteration 167: trace = 6.69268119447419 (0.057451% change)
linmin: converged after 7 iterations.
iteration 168: trace = 6.688677049552969 (0.0598466% change)
linmin: converged after 3 iterations.
iteration 169: trace = 6.686942732733815 (0.0259325% change)
linmin: converged after 3 iterations.
iteration 170: trace = 6.685518855776348 (0.0212957% change)
linmin: converged after 3 iterations.
iteration 171: trace = 6.684005705162724 (0.0226358% change)
linmin: converged after 3 iterations.
iteration 172: trace = 6.683055585550433 (0.0142158% change)
linmin: converged after 4 iterations.
iteration 173: trace = 6.682077250719044 (0.0146401% change)
linmin: converged after 4 iterations.
iteration 174: trace = 6.680706089298033 (0.0205221% change)
linmin: converged after 4 iterations.
iteration 175: trace = 6.679288876253398 (0.0212158% change)
linmin: converged after 4 iterations.
iteration 176: trace = 6.67769860474827 (0.0238118% change)
linmin: converged after 4 iterations.
iteration 177: trace = 6.675983319281102 (0.0256901% change)
linmin: converged after 4 iterations.
iteration 178: trace = 6.674070448935363 (0.0286571% change)
linmin: converged after 5 iterations.
iteration 179: trace = 6.671905339047649 (0.0324459% change)
linmin: converged after 4 iterations.
iteration 180: trace = 6.670433407164131 (0.0220641% change)
linmin: converged after 4 iterations.
iteration 181: trace = 6.669409020171365 (0.0153583% change)
linmin: converged after 4 iterations.
iteration 182: trace = 6.668180561876174 (0.018421% change)
linmin: converged after 4 iterations.
iteration 183: trace = 6.667087337699036 (0.016396% change)
linmin: converged after 4 iterations.
iteration 184: trace = 6.666481287171367 (0.0090906% change)
linmin: converged after 4 iterations.
iteration 185: trace = 6.665969009287798 (0.00768468% change)
linmin: converged after 4 iterations.
iteration 186: trace = 6.665376381456404 (0.00889074% change)
linmin: converged after 3 iterations.
iteration 187: trace = 6.664850263268718 (0.00789361% change)
linmin: converged after 3 iterations.
iteration 188: trace = 6.664377217486245 (0.00709787% change)
linmin: converged after 4 iterations.
iteration 189: trace = 6.663879358752522 (0.00747073% change)
linmin: converged after 5 iterations.
iteration 190: trace = 6.663329858957248 (0.00824628% change)
linmin: converged after 4 iterations.
iteration 191: trace = 6.662526578960382 (0.012056% change)
linmin: converged after 4 iterations.
iteration 192: trace = 6.661487939743962 (0.0155905% change)
linmin: converged after 4 iterations.
iteration 193: trace = 6.660741482372119 (0.0112062% change)
linmin: converged after 4 iterations.
iteration 194: trace = 6.660214767360173 (0.00790807% change)
linmin: converged after 4 iterations.
iteration 195: trace = 6.65959843248577 (0.00925441% change)
linmin: converged after 3 iterations.
iteration 196: trace = 6.659013590820788 (0.00878232% change)
linmin: converged after 3 iterations.
iteration 197: trace = 6.658670540881428 (0.0051518% change)
linmin: converged after 3 iterations.
iteration 198: trace = 6.65841493196519 (0.00383881% change)
linmin: converged after 3 iterations.
iteration 199: trace = 6.658130065745863 (0.00427838% change)
linmin: converged after 3 iterations.
iteration 200: trace = 6.657842009810334 (0.00432647% change)
linmin: converged after 4 iterations.
iteration 201: trace = 6.657556259711143 (0.00429202% change)
linmin: converged after 3 iterations.
iteration 202: trace = 6.657216709973985 (0.00510035% change)
linmin: converged after 4 iterations.
iteration 203: trace = 6.656852095998891 (0.00547712% change)
linmin: converged after 3 iterations.
iteration 204: trace = 6.656459058615156 (0.00590443% change)
linmin: converged after 4 iterations.
iteration 205: trace = 6.655958827168101 (0.00751526% change)
linmin: converged after 3 iterations.
iteration 206: trace = 6.655516807588693 (0.00664118% change)
linmin: converged after 3 iterations.
iteration 207: trace = 6.655239798139959 (0.00416219% change)
linmin: converged after 3 iterations.
iteration 208: trace = 6.654966209363305 (0.00411096% change)
linmin: converged after 3 iterations.
iteration 209: trace = 6.654615756002599 (0.00526618% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 210: trace = 6.653979604991168 (0.00956% change)
linmin: converged after 4 iterations.
iteration 211: trace = 6.653218593654713 (0.0114376% change)
linmin: converged after 4 iterations.
iteration 212: trace = 6.652201431611209 (0.0152894% change)
linmin: converged after 4 iterations.
iteration 213: trace = 6.65147749573334 (0.0108832% change)
linmin: converged after 3 iterations.
iteration 214: trace = 6.650964114119063 (0.00771861% change)
large trace change predicted (0.0193546%)
linmin: converged after 3 iterations.
iteration 215: trace = 6.649666222529873 (0.0195162% change)
linmin: converged after 3 iterations.
iteration 216: trace = 6.64868042765127 (0.0148258% change)
linmin: converged after 3 iterations.
iteration 217: trace = 6.648057836496214 (0.00936457% change)
linmin: converged after 3 iterations.
iteration 218: trace = 6.647743680490572 (0.00472564% change)
linmin: converged after 3 iterations.
iteration 219: trace = 6.647208628992315 (0.00804894% change)
linmin: converged after 3 iterations.
iteration 220: trace = 6.646298117029749 (0.0136986% change)
linmin: converged after 3 iterations.
iteration 221: trace = 6.645599180900577 (0.0105167% change)
linmin: converged after 3 iterations.
iteration 222: trace = 6.644595576685413 (0.0151029% change)
linmin: converged after 3 iterations.
iteration 223: trace = 6.644097086546495 (0.00750247% change)
linmin: converged after 3 iterations.
iteration 224: trace = 6.643772772082394 (0.00488136% change)
linmin: converged after 4 iterations.
iteration 225: trace = 6.643495814646651 (0.00416876% change)
large trace change predicted (0.0106768%)
linmin: converged after 4 iterations.
iteration 226: trace = 6.642785205699263 (0.0106969% change)
linmin: converged after 4 iterations.
iteration 227: trace = 6.642287015948828 (0.00749999% change)
linmin: converged after 5 iterations.
iteration 228: trace = 6.64174583793026 (0.0081478% change)
linmin: converged after 4 iterations.
iteration 229: trace = 6.641208328703908 (0.00809322% change)
linmin: converged after 4 iterations.
iteration 230: trace = 6.640747751722186 (0.00693538% change)
linmin: converged after 4 iterations.
iteration 231: trace = 6.640529350610269 (0.00328886% change)
linmin: converged after 4 iterations.
iteration 232: trace = 6.640209002378969 (0.00482425% change)
linmin: converged after 4 iterations.
iteration 233: trace = 6.639843694588195 (0.0055016% change)
linmin: converged after 5 iterations.
iteration 234: trace = 6.639595338447476 (0.00374046% change)
linmin: converged after 4 iterations.
iteration 235: trace = 6.639337712689807 (0.00388022% change)
linmin: converged after 4 iterations.
iteration 236: trace = 6.639222719883426 (0.00173201% change)
linmin: converged after 3 iterations.
iteration 237: trace = 6.639165809398814 (0.00085719% change)
linmin: converged after 3 iterations.
iteration 238: trace = 6.639089694226782 (0.00114646% change)
linmin: converged after 4 iterations.
iteration 239: trace = 6.639015513604635 (0.00111734% change)
linmin: converged after 4 iterations.
iteration 240: trace = 6.638972352133721 (0.000650121% change)
linmin: converged after 7 iterations.
iteration 241: trace = 6.638902462342726 (0.00105273% change)
linmin: converged after 5 iterations.
iteration 242: trace = 6.638846994028447 (0.000835508% change)
linmin: converged after 7 iterations.
iteration 243: trace = 6.638819500466276 (0.000414132% change)
linmin: converged after 3 iterations.
iteration 244: trace = 6.63880608064523 (0.000202142% change)
linmin: converged after 3 iterations.
iteration 245: trace = 6.638792717858658 (0.000201283% change)
linmin: converged after 4 iterations.
iteration 246: trace = 6.638786869744692 (8.80901e-05% change)
large trace change predicted (0.000180012%)
linmin: converged after 3 iterations.
iteration 247: trace = 6.638774923260716 (0.00017995% change)
linmin: converged after 3 iterations.
iteration 248: trace = 6.638764420528742 (0.000158203% change)
linmin: converged after 3 iterations.
iteration 249: trace = 6.638757353489586 (0.000106451% change)
linmin: converged after 4 iterations.
iteration 250: trace = 6.638753655777196 (5.56989e-05% change)
linmin: converged after 3 iterations.
iteration 251: trace = 6.638749452632469 (6.33123e-05% change)
linmin: converged after 4 iterations.
iteration 252: trace = 6.63874762843966 (2.7478e-05% change)
linmin: converged after 5 iterations.
iteration 253: trace = 6.638745770381474 (2.79881e-05% change)
linmin: converged after 4 iterations.
iteration 254: trace = 6.638743654139198 (3.18771e-05% change)
linmin: converged after 4 iterations.
iteration 255: trace = 6.638741350734973 (3.46964e-05% change)
linmin: converged after 4 iterations.
iteration 256: trace = 6.638739804709138 (2.32879e-05% change)
linmin: converged after 5 iterations.
iteration 257: trace = 6.638738669251487 (1.71035e-05% change)
linmin: converged after 5 iterations.
iteration 258: trace = 6.638737995315019 (1.01516e-05% change)
linmin: converged after 6 iterations.
iteration 259: trace = 6.63873760814984 (5.83191e-06% change)
linmin: converged after 4 iterations.
iteration 260: trace = 6.638736975731822 (9.52618e-06% change)
linmin: converged after 3 iterations.
iteration 261: trace = 6.638736294176336 (1.02663e-05% change)
linmin: converged after 5 iterations.
iteration 262: trace = 6.638735839151034 (6.8541e-06% change)
linmin: converged after 5 iterations.
iteration 263: trace = 6.638735345491657 (7.43605e-06% change)
linmin: converged after 3 iterations.
iteration 264: trace = 6.638735094546482 (3.78001e-06% change)
linmin: converged after 20 iterations.
iteration 265: trace = 6.638734983224069 (1.67686e-06% change)
linmin: converged after 5 iterations.
iteration 266: trace = 6.638734801873257 (2.73171e-06% change)
linmin: converged after 4 iterations.
iteration 267: trace = 6.638734654017373 (2.22717e-06% change)
linmin: converged after 5 iterations.
iteration 268: trace = 6.638734484498977 (2.55347e-06% change)
linmin: converged after 7 iterations.
iteration 269: trace = 6.638734332130647 (2.29514e-06% change)
linmin: converged after 7 iterations.
iteration 270: trace = 6.63873420457886 (1.92133e-06% change)
linmin: converged after 4 iterations.
iteration 271: trace = 6.638734170222909 (5.17508e-07% change)
linmin: converged after 7 iterations.
iteration 272: trace = 6.638734116756808 (8.05366e-07% change)
linmin: converged after 5 iterations.
iteration 273: trace = 6.638734058698566 (8.74538e-07% change)
linmin: converged after 5 iterations.
iteration 274: trace = 6.63873399546925 (9.5243e-07% change)
linmin: converged after 4 iterations.
iteration 275: trace = 6.638733932248243 (9.52305e-07% change)
linmin: converged after 5 iterations.
iteration 276: trace = 6.638733852553821 (1.20045e-06% change)
linmin: converged after 4 iterations.
iteration 277: trace = 6.63873382391973 (4.31319e-07% change)
linmin: converged after 5 iterations.
iteration 278: trace = 6.638733792293237 (4.76393e-07% change)
linmin: converged after 5 iterations.
iteration 279: trace = 6.638733763512676 (4.33525e-07% change)
resetting CG direction...
linmin: converged after 16 iterations.
iteration 280: trace = 6.638733752107141 (1.71803e-07% change)
linmin: converged after 4 iterations.
iteration 281: trace = 6.63873373936176 (1.91985e-07% change)
linmin: converged after 5 iterations.
iteration 282: trace = 6.638733721252703 (2.72779e-07% change)
linmin: converged after 4 iterations.
iteration 283: trace = 6.638733697470379 (3.58236e-07% change)
linmin: converged after 4 iterations.
iteration 284: trace = 6.638733685366086 (1.82328e-07% change)
linmin: converged after 4 iterations.
iteration 285: trace = 6.638733662926075 (3.38016e-07% change)
linmin: converged after 4 iterations.
iteration 286: trace = 6.638733649275423 (2.05621e-07% change)
linmin: converged after 5 iterations.
iteration 287: trace = 6.638733639159769 (1.52373e-07% change)
linmin: converged after 4 iterations.
iteration 288: trace = 6.638733628871877 (1.54968e-07% change)
large trace change predicted (3.97332e-07%)
linmin: converged after 5 iterations.
iteration 289: trace = 6.638733602494101 (3.97331e-07% change)
linmin: converged after 8 iterations.
iteration 290: trace = 6.638733579895577 (3.40404e-07% change)
linmin: converged after 4 iterations.
iteration 291: trace = 6.63873356599051 (2.09454e-07% change)
linmin: converged after 7 iterations.
iteration 292: trace = 6.638733550713064 (2.30126e-07% change)
linmin: converged after 4 iterations.
iteration 293: trace = 6.638733543728417 (1.05211e-07% change)
linmin: converged after 4 iterations.
iteration 294: trace = 6.638733537913732 (8.75873e-08% change)
linmin: converged after 14 iterations.
iteration 295: trace = 6.638733531219156 (1.00841e-07% change)
large trace change predicted (2.23511e-07%)
linmin: converged after 10 iterations.
iteration 296: trace = 6.638733516381063 (2.23508e-07% change)
linmin: converged after 4 iterations.
iteration 297: trace = 6.638733504961065 (1.72021e-07% change)
linmin: converged after 13 iterations.
iteration 298: trace = 6.638733499170597 (8.72225e-08% change)
linmin: converged after 6 iterations.
iteration 299: trace = 6.638733494745578 (6.66546e-08% change)
linmin: converged after 4 iterations.
iteration 300: trace = 6.63873349025442 (6.76508e-08% change)
linmin: converged after 4 iterations.
iteration 301: trace = 6.638733483199136 (1.06275e-07% change)
linmin: converged after 6 iterations.
iteration 302: trace = 6.638733477349042 (8.81206e-08% change)
linmin: converged after 4 iterations.
iteration 303: trace = 6.638733471926166 (8.16854e-08% change)
linmin: converged after 4 iterations.
iteration 304: trace = 6.638733468406597 (5.30157e-08% change)
linmin: converged after 4 iterations.
iteration 305: trace = 6.638733466630242 (2.67574e-08% change)
linmin: converged after 13 iterations.
iteration 306: trace = 6.638733465585219 (1.57413e-08% change)
linmin: converged after 5 iterations.
iteration 307: trace = 6.638733463666293 (2.8905e-08% change)
linmin: converged after 4 iterations.
iteration 308: trace = 6.638733461560223 (3.1724e-08% change)
linmin: converged after 4 iterations.
iteration 309: trace = 6.638733460353873 (1.81714e-08% change)
linmin: converged after 7 iterations.
iteration 310: trace = 6.638733459372367 (1.47845e-08% change)
linmin: converged after 7 iterations.
iteration 311: trace = 6.638733458546906 (1.2434e-08% change)
linmin: converged after 4 iterations.
iteration 312: trace = 6.638733458034511 (7.71826e-09% change)
linmin: converged after 7 iterations.
iteration 313: trace = 6.638733457621008 (6.22864e-09% change)
linmin: converged after 15 iterations.
iteration 314: trace = 6.638733457335751 (4.29686e-09% change)
large trace change predicted (1.06967e-08%)
linmin: converged after 5 iterations.
iteration 315: trace = 6.638733456625658 (1.06962e-08% change)
linmin: converged after 6 iterations.
iteration 316: trace = 6.638733456304072 (4.84408e-09% change)
linmin: converged after 15 iterations.
iteration 317: trace = 6.638733456122004 (2.74251e-09% change)
linmin: converged after 3 iterations.
iteration 318: trace = 6.638733455993431 (1.93672e-09% change)
linmin: converged after 19 iterations.
iteration 319: trace = 6.638733455877123 (1.75196e-09% change)
linmin: converged after 13 iterations.
iteration 320: trace = 6.638733455803544 (1.10832e-09% change)
linmin: converged after 12 iterations.
iteration 321: trace = 6.638733455753677 (7.51162e-10% change)
linmin: converged after 21 iterations.
iteration 322: trace = 6.638733455681622 (1.08536e-09% change)
linmin: converged after 18 iterations.
iteration 323: trace = 6.638733455613798 (1.02165e-09% change)
linmin: converged after 4 iterations.
iteration 324: trace = 6.638733455575554 (5.76061e-10% change)
linmin: converged after 9 iterations.
iteration 325: trace = 6.638733455551931 (3.55848e-10% change)
linmin: converged after 4 iterations.
iteration 326: trace = 6.638733455530565 (3.21839e-10% change)
linmin: converged after 9 iterations.
iteration 327: trace = 6.638733455520651 (1.49333e-10% change)
linmin: converged after 10 iterations.
iteration 328: trace = 6.638733455508835 (1.77977e-10% change)
linmin: converged after 2 iterations.
iteration 329: trace = 6.638733455498822 (1.50832e-10% change)
linmin: converged after 4 iterations.
iteration 330: trace = 6.638733455486697 (1.82646e-10% change)
linmin: converged after 6 iterations.
iteration 331: trace = 6.638733455483321 (5.08526e-11% change)
Finished solving for bands 1 to 8 after 331 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454
elapsed time for k point: 5.473623991012573
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.6260576237697 (0.100232% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.622613136247769 (0.0519975% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.620673751098646 (0.0292886% change)
linmin: converged after 3 iterations.
iteration 4: trace = 6.619597693969425 (0.0162543% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.618315103587323 (0.0193775% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.617219281266017 (0.0165588% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.615295857082153 (0.0290712% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.614179476934057 (0.0168772% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.613750797099966 (0.00648143% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.613492239262217 (0.00390947% change)
linmin: converged after 8 iterations.
iteration 11: trace = 6.613099998232477 (0.0059311% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.612508450138579 (0.0089455% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.611911614851758 (0.00902626% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.61162197986756 (0.0043806% change)
linmin: converged after 14 iterations.
iteration 15: trace = 6.611528800444471 (0.00140934% change)
linmin: converged after 11 iterations.
iteration 16: trace = 6.611478383867063 (0.000762558% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.611426401522207 (0.000786247% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.611356799706302 (0.00105276% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.611309374215812 (0.000717336% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.611236278071851 (0.00110563% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.61118424056561 (0.00078711% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.611157392516317 (0.000406101% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.611149765657109 (0.000115364% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.611137418834302 (0.000186758% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.611117110368845 (0.000307186% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.611106889872412 (0.000154596% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.611093350540525 (0.000204797% change)
linmin: converged after 5 iterations.
iteration 28: trace = 6.611088832478344 (6.83406e-05% change)
linmin: converged after 4 iterations.
iteration 29: trace = 6.611086832035665 (3.02589e-05% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.611085130062883 (2.57442e-05% change)
linmin: converged after 4 iterations.
iteration 31: trace = 6.61108264676884 (3.75626e-05% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.611078563945897 (6.17573e-05% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.611077156727883 (2.12858e-05% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.611075809350823 (2.03806e-05% change)
linmin: converged after 5 iterations.
iteration 35: trace = 6.611075193950397 (9.30863e-06% change)
linmin: converged after 2 iterations.
iteration 36: trace = 6.611074698908572 (7.48807e-06% change)
linmin: converged after 2 iterations.
iteration 37: trace = 6.611074407571144 (4.40681e-06% change)
large trace change predicted (9.33325e-06%)
linmin: converged after 5 iterations.
iteration 38: trace = 6.611073790580959 (9.33268e-06% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.611073203395692 (8.88184e-06% change)
linmin: converged after 2 iterations.
iteration 40: trace = 6.611073052666175 (2.27996e-06% change)
linmin: converged after 3 iterations.
iteration 41: trace = 6.611072941982572 (1.67422e-06% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.611072860997705 (1.22499e-06% change)
linmin: converged after 19 iterations.
iteration 43: trace = 6.611072808571613 (7.93004e-07% change)
linmin: converged after 2 iterations.
iteration 44: trace = 6.611072776009633 (4.92537e-07% change)
linmin: converged after 5 iterations.
iteration 45: trace = 6.611072738166845 (5.72415e-07% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.61107269887773 (5.94293e-07% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.611072683722457 (2.29241e-07% change)
linmin: converged after 20 iterations.
iteration 48: trace = 6.61107267223891 (1.73702e-07% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.611072662758527 (1.43402e-07% change)
linmin: converged after 2 iterations.
iteration 50: trace = 6.611072656973558 (8.75042e-08% change)
linmin: converged after 14 iterations.
iteration 51: trace = 6.611072652140479 (7.31058e-08% change)
linmin: converged after 4 iterations.
iteration 52: trace = 6.611072646471644 (8.57476e-08% change)
linmin: converged after 25 iterations.
iteration 53: trace = 6.611072641170976 (8.01786e-08% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.611072640188722 (1.48577e-08% change)
linmin: converged after 4 iterations.
iteration 55: trace = 6.611072639602137 (8.87277e-09% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.611072639215618 (5.84653e-09% change)
linmin: converged after 23 iterations.
iteration 57: trace = 6.611072638759814 (6.89456e-09% change)
linmin: converged after 2 iterations.
iteration 58: trace = 6.611072638476969 (4.27835e-09% change)
linmin: converged after 20 iterations.
iteration 59: trace = 6.611072638036925 (6.65617e-09% change)
linmin: converged after 13 iterations.
iteration 60: trace = 6.611072637785957 (3.79618e-09% change)
linmin: converged after 16 iterations.
iteration 61: trace = 6.611072637654685 (1.98564e-09% change)
linmin: converged after 16 iterations.
iteration 62: trace = 6.611072637586027 (1.03853e-09% change)
linmin: converged after 6 iterations.
iteration 63: trace = 6.611072637534644 (7.77225e-10% change)
linmin: converged after 3 iterations.
iteration 64: trace = 6.61107263749526 (5.95722e-10% change)
linmin: converged after 18 iterations.
iteration 65: trace = 6.611072637473985 (3.21815e-10% change)
large trace change predicted (1.05833e-09%)
linmin: converged after 5 iterations.
iteration 66: trace = 6.611072637404018 (1.05833e-09% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.611072637378244 (3.89848e-10% change)
linmin: converged after 6 iterations.
iteration 68: trace = 6.611072637366652 (1.7535e-10% change)
linmin: converged after 3 iterations.
iteration 69: trace = 6.611072637361769 (7.3864e-11% change)
Finished solving for bands 1 to 8 after 69 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128
elapsed time for k point: 1.0716099739074707
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.69654845025137 (0.194448% change)
linmin: converged after 3 iterations.
iteration 2: trace = 6.689342465375486 (0.107665% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.684968588326884 (0.0654071% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.682654417292113 (0.0346235% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.680578973283696 (0.031062% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.677750731033851 (0.0423442% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.674361515453429 (0.0507667% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.672549248124937 (0.0271564% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.670357074217137 (0.032859% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.669034273421945 (0.019833% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.667931877203758 (0.0165314% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.667446347339836 (0.00728183% change)
large trace change predicted (0.0240835%)
linmin: converged after 4 iterations.
iteration 13: trace = 6.665843395948846 (0.0240443% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.664868522604189 (0.014626% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.663981786802305 (0.0133055% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.663285117138646 (0.0104548% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.662813208969369 (0.00708247% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.662657367649856 (0.002339% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.662510138450232 (0.00220979% change)
large trace change predicted (0.00524066%)
linmin: converged after 15 iterations.
iteration 20: trace = 6.662160849237966 (0.00524274% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.66197420989029 (0.00280152% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.661701520880363 (0.0040933% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.661499720875717 (0.0030293% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.66140143678833 (0.00147542% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.661330968901323 (0.00105786% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.661273357520589 (0.000864867% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.661214838045455 (0.000878507% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.661157759371667 (0.000856885% change)
linmin: converged after 5 iterations.
iteration 29: trace = 6.661112661284326 (0.000677033% change)
linmin: converged after 20 iterations.
iteration 30: trace = 6.661070300433895 (0.000635945% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.66105830797355 (0.000180038% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.661042292611342 (0.000240433% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.661028283401026 (0.000210316% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.661012969925144 (0.000229897% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.661000272803735 (0.000190619% change)
linmin: converged after 5 iterations.
iteration 36: trace = 6.660981057702862 (0.000288472% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.660974846356311 (9.32498e-05% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.660970536539435 (6.47025e-05% change)
linmin: converged after 5 iterations.
iteration 39: trace = 6.660965329886953 (7.81666e-05% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.660960399146574 (7.40244e-05% change)
linmin: converged after 6 iterations.
iteration 41: trace = 6.66095569069584 (7.06873e-05% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.660951410712856 (6.42548e-05% change)
linmin: converged after 3 iterations.
iteration 43: trace = 6.660948058569098 (5.03253e-05% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.660947085941736 (1.46019e-05% change)
large trace change predicted (2.98581e-05%)
linmin: converged after 4 iterations.
iteration 45: trace = 6.660945097035194 (2.98592e-05% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.66094382178454 (1.91452e-05% change)
linmin: converged after 5 iterations.
iteration 47: trace = 6.660942440494746 (2.07372e-05% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.660941469353216 (1.45796e-05% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.66094020410135 (1.89951e-05% change)
linmin: converged after 5 iterations.
iteration 50: trace = 6.660939460723126 (1.11603e-05% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.660938948018435 (7.69718e-06% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.660938435141803 (7.69977e-06% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.660938003174664 (6.48508e-06% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.660937690969898 (4.6871e-06% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.660937258482483 (6.49289e-06% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.660937081002793 (2.66449e-06% change)
linmin: converged after 5 iterations.
iteration 57: trace = 6.660937039777968 (6.18904e-07% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.660936992667125 (7.07271e-07% change)
linmin: converged after 5 iterations.
iteration 59: trace = 6.660936943518592 (7.37862e-07% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.660936890577585 (7.94798e-07% change)
linmin: converged after 5 iterations.
iteration 61: trace = 6.660936833465589 (8.57417e-07% change)
linmin: converged after 24 iterations.
iteration 62: trace = 6.660936777960926 (8.33286e-07% change)
linmin: converged after 5 iterations.
iteration 63: trace = 6.660936765957731 (1.80203e-07% change)
linmin: converged after 2 iterations.
iteration 64: trace = 6.660936755017357 (1.64247e-07% change)
linmin: converged after 3 iterations.
iteration 65: trace = 6.66093674650544 (1.27789e-07% change)
linmin: converged after 6 iterations.
iteration 66: trace = 6.660936740715574 (8.69227e-08% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.660936737170697 (5.32189e-08% change)
linmin: converged after 15 iterations.
iteration 68: trace = 6.660936730929448 (9.36993e-08% change)
linmin: converged after 3 iterations.
iteration 69: trace = 6.660936726678534 (6.38186e-08% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 6.660936725045222 (2.45207e-08% change)
linmin: converged after 2 iterations.
iteration 71: trace = 6.660936723760564 (1.92865e-08% change)
linmin: converged after 4 iterations.
iteration 72: trace = 6.660936722383546 (2.0673e-08% change)
linmin: converged after 6 iterations.
iteration 73: trace = 6.660936721386091 (1.49747e-08% change)
linmin: converged after 5 iterations.
iteration 74: trace = 6.660936720553865 (1.24941e-08% change)
linmin: converged after 13 iterations.
iteration 75: trace = 6.660936719204704 (2.02548e-08% change)
linmin: converged after 4 iterations.
iteration 76: trace = 6.660936718304 (1.35222e-08% change)
linmin: converged after 20 iterations.
iteration 77: trace = 6.660936717517122 (1.18133e-08% change)
linmin: converged after 16 iterations.
iteration 78: trace = 6.660936716876025 (9.62473e-09% change)
linmin: converged after 12 iterations.
iteration 79: trace = 6.660936716382677 (7.40658e-09% change)
linmin: converged after 22 iterations.
iteration 80: trace = 6.660936716200043 (2.74187e-09% change)
linmin: converged after 4 iterations.
iteration 81: trace = 6.66093671585187 (5.22709e-09% change)
linmin: converged after 3 iterations.
iteration 82: trace = 6.660936715504881 (5.20931e-09% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.66093671530523 (2.99734e-09% change)
linmin: converged after 21 iterations.
iteration 84: trace = 6.66093671508824 (3.25765e-09% change)
linmin: converged after 9 iterations.
iteration 85: trace = 6.660936714937202 (2.26751e-09% change)
linmin: converged after 10 iterations.
iteration 86: trace = 6.660936714833777 (1.55271e-09% change)
linmin: converged after 6 iterations.
iteration 87: trace = 6.660936714749974 (1.25813e-09% change)
linmin: converged after 18 iterations.
iteration 88: trace = 6.660936714697367 (7.89781e-10% change)
linmin: converged after 6 iterations.
iteration 89: trace = 6.660936714617602 (1.19751e-09% change)
linmin: converged after 16 iterations.
iteration 90: trace = 6.660936714577185 (6.0677e-10% change)
linmin: converged after 7 iterations.
iteration 91: trace = 6.66093671454266 (5.18325e-10% change)
linmin: converged after 5 iterations.
iteration 92: trace = 6.660936714523179 (2.92471e-10% change)
linmin: converged after 7 iterations.
iteration 93: trace = 6.660936714512325 (1.62943e-10% change)
linmin: converged after 7 iterations.
iteration 94: trace = 6.660936714494101 (2.73603e-10% change)
linmin: converged after 2 iterations.
iteration 95: trace = 6.660936714476154 (2.6943e-10% change)
linmin: converged after 6 iterations.
iteration 96: trace = 6.66093671446064 (2.32907e-10% change)
linmin: converged after 4 iterations.
iteration 97: trace = 6.660936714455401 (7.86581e-11% change)
Finished solving for bands 1 to 8 after 97 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532
elapsed time for k point: 1.833439588546753
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.828693051154345 (0.258209% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.814914958893745 (0.201971% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.80349260183447 (0.167749% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.79848734870875 (0.0735959% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.793361675684579 (0.0754227% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.785739191682397 (0.112268% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.782648806865124 (0.0455527% change)
large trace change predicted (0.100602%)
linmin: converged after 4 iterations.
iteration 8: trace = 6.775936763703433 (0.099008% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.767502062135385 (0.124558% change)
linmin: converged after 7 iterations.
iteration 10: trace = 6.763226521067462 (0.0631975% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.757059612273398 (0.0912245% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.751376366656176 (0.0841437% change)
linmin: converged after 3 iterations.
iteration 13: trace = 6.749200935773478 (0.0322272% change)
large trace change predicted (0.0987644%)
linmin: converged after 4 iterations.
iteration 14: trace = 6.742591302242313 (0.0979801% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.740640411046187 (0.028938% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.737712689049472 (0.0434433% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.734520894288492 (0.0473833% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.732582934604476 (0.0287806% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.729242247617569 (0.049632% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.728109349512105 (0.0168369% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.726644075980233 (0.0217808% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.725872574431966 (0.01147% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.725359736473234 (0.00762514% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.724756253268692 (0.00897365% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.72423135588593 (0.00780575% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.72353038351107 (0.0104251% change)
linmin: converged after 4 iterations.
iteration 27: trace = 6.723053571704133 (0.00709194% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.722658821939687 (0.00587176% change)
linmin: converged after 5 iterations.
iteration 29: trace = 6.722318019409016 (0.00506959% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.722110946093002 (0.00308043% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.721805721101981 (0.00454072% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.721654547984085 (0.00224902% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.721517298715021 (0.00204192% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.721358436783906 (0.00236351% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.721272059164479 (0.00128513% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.721179700137169 (0.00137414% change)
linmin: converged after 7 iterations.
iteration 37: trace = 6.72112330194598 (0.000839115% change)
linmin: converged after 3 iterations.
iteration 38: trace = 6.721064008046548 (0.000882206% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.720970925766762 (0.00138494% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.720931118364441 (0.000592288% change)
large trace change predicted (0.00161291%)
linmin: converged after 3 iterations.
iteration 41: trace = 6.720822626495152 (0.00161425% change)
linmin: converged after 4 iterations.
iteration 42: trace = 6.720798459314678 (0.000359587% change)
large trace change predicted (0.000726947%)
linmin: converged after 4 iterations.
iteration 43: trace = 6.720749733677937 (0.000725% change)
linmin: converged after 4 iterations.
iteration 44: trace = 6.720722599348418 (0.00040374% change)
linmin: converged after 4 iterations.
iteration 45: trace = 6.720705195838294 (0.000258953% change)
large trace change predicted (0.000642163%)
linmin: converged after 6 iterations.
iteration 46: trace = 6.720662127476741 (0.000640833% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.720647157207791 (0.00022275% change)
linmin: converged after 8 iterations.
iteration 48: trace = 6.720620433065634 (0.000397643% change)
linmin: converged after 6 iterations.
iteration 49: trace = 6.720599311445288 (0.000314281% change)
linmin: converged after 3 iterations.
iteration 50: trace = 6.720588137884642 (0.000166259% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.72057243682333 (0.000233627% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.720560502321083 (0.000177582% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.720550778306086 (0.000144691% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.72054201518942 (0.000130393% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.720538071718374 (5.86779e-05% change)
linmin: converged after 3 iterations.
iteration 56: trace = 6.72053381517578 (6.33364e-05% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.720531116533037 (4.01552e-05% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.720527587074378 (5.25176e-05% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.720523742686854 (5.72037e-05% change)
linmin: converged after 3 iterations.
iteration 60: trace = 6.720520452028452 (4.89643e-05% change)
linmin: converged after 3 iterations.
iteration 61: trace = 6.720515635821292 (7.16642e-05% change)
linmin: converged after 4 iterations.
iteration 62: trace = 6.72051369558301 (2.88704e-05% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.720511339613811 (3.50564e-05% change)
linmin: converged after 2 iterations.
iteration 64: trace = 6.720510233489242 (1.64589e-05% change)
linmin: converged after 3 iterations.
iteration 65: trace = 6.720509525527539 (1.05343e-05% change)
linmin: converged after 2 iterations.
iteration 66: trace = 6.720508403284164 (1.66988e-05% change)
linmin: converged after 5 iterations.
iteration 67: trace = 6.720507795474456 (9.0441e-06% change)
large trace change predicted (2.55095e-05%)
linmin: converged after 7 iterations.
iteration 68: trace = 6.720506081153956 (2.55088e-05% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.720505166064807 (1.36164e-05% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.720504632404202 (7.94078e-06% change)
linmin: converged after 2 iterations.
iteration 71: trace = 6.720503757869241 (1.30129e-05% change)
linmin: converged after 3 iterations.
iteration 72: trace = 6.720503155026131 (8.97021e-06% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.720502824908291 (4.9121e-06% change)
linmin: converged after 5 iterations.
iteration 74: trace = 6.72050226709905 (8.30011e-06% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.720501617768297 (9.66194e-06% change)
linmin: converged after 12 iterations.
iteration 76: trace = 6.720501326228034 (4.33807e-06% change)
linmin: converged after 2 iterations.
iteration 77: trace = 6.720500923028406 (5.99955e-06% change)
linmin: converged after 3 iterations.
iteration 78: trace = 6.720500448443767 (7.06175e-06% change)
linmin: converged after 4 iterations.
iteration 79: trace = 6.720500087656586 (5.36846e-06% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.720499710699892 (5.60906e-06% change)
linmin: converged after 6 iterations.
iteration 81: trace = 6.72049940863037 (4.49475e-06% change)
linmin: converged after 4 iterations.
iteration 82: trace = 6.720499351281875 (8.53337e-07% change)
linmin: converged after 5 iterations.
iteration 83: trace = 6.720499245521641 (1.5737e-06% change)
linmin: converged after 4 iterations.
iteration 84: trace = 6.72049913262799 (1.67984e-06% change)
linmin: converged after 4 iterations.
iteration 85: trace = 6.720498945729719 (2.78102e-06% change)
linmin: converged after 4 iterations.
iteration 86: trace = 6.720498852363972 (1.38927e-06% change)
linmin: converged after 4 iterations.
iteration 87: trace = 6.720498761849329 (1.34684e-06% change)
linmin: converged after 4 iterations.
iteration 88: trace = 6.7204986739702 (1.30763e-06% change)
linmin: converged after 10 iterations.
iteration 89: trace = 6.720498653720747 (3.01309e-07% change)
linmin: converged after 4 iterations.
iteration 90: trace = 6.720498625582296 (4.18696e-07% change)
linmin: converged after 4 iterations.
iteration 91: trace = 6.720498602021372 (3.50583e-07% change)
linmin: converged after 8 iterations.
iteration 92: trace = 6.720498576202601 (3.84179e-07% change)
linmin: converged after 22 iterations.
iteration 93: trace = 6.720498560284163 (2.36864e-07% change)
linmin: converged after 3 iterations.
iteration 94: trace = 6.720498532121002 (4.19064e-07% change)
linmin: converged after 4 iterations.
iteration 95: trace = 6.720498515238853 (2.51204e-07% change)
linmin: converged after 4 iterations.
iteration 96: trace = 6.720498508370332 (1.02203e-07% change)
linmin: converged after 4 iterations.
iteration 97: trace = 6.720498499076403 (1.38292e-07% change)
linmin: converged after 10 iterations.
iteration 98: trace = 6.720498492447143 (9.86424e-08% change)
linmin: converged after 7 iterations.
iteration 99: trace = 6.72049849018129 (3.37155e-08% change)
linmin: converged after 4 iterations.
iteration 100: trace = 6.720498486342221 (5.71248e-08% change)
linmin: converged after 4 iterations.
iteration 101: trace = 6.720498482650953 (5.49255e-08% change)
linmin: converged after 4 iterations.
iteration 102: trace = 6.720498480429661 (3.30525e-08% change)
linmin: converged after 12 iterations.
iteration 103: trace = 6.720498478111147 (3.44991e-08% change)
linmin: converged after 4 iterations.
iteration 104: trace = 6.720498474206468 (5.8101e-08% change)
linmin: converged after 4 iterations.
iteration 105: trace = 6.720498473262042 (1.40529e-08% change)
linmin: converged after 4 iterations.
iteration 106: trace = 6.720498471876009 (2.0624e-08% change)
linmin: converged after 6 iterations.
iteration 107: trace = 6.720498470967589 (1.35172e-08% change)
linmin: converged after 4 iterations.
iteration 108: trace = 6.720498470312162 (9.75265e-09% change)
linmin: converged after 9 iterations.
iteration 109: trace = 6.720498469396089 (1.3631e-08% change)
linmin: converged after 7 iterations.
iteration 110: trace = 6.720498468512294 (1.31507e-08% change)
linmin: converged after 21 iterations.
iteration 111: trace = 6.720498467999879 (7.62466e-09% change)
linmin: converged after 5 iterations.
iteration 112: trace = 6.720498467640348 (5.34977e-09% change)
linmin: converged after 21 iterations.
iteration 113: trace = 6.720498466970739 (9.96368e-09% change)
linmin: converged after 5 iterations.
iteration 114: trace = 6.720498466677312 (4.36614e-09% change)
linmin: converged after 18 iterations.
iteration 115: trace = 6.720498466441213 (3.51312e-09% change)
linmin: converged after 6 iterations.
iteration 116: trace = 6.720498466250924 (2.83147e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 6.720498466096265 (2.30131e-09% change)
linmin: converged after 6 iterations.
iteration 118: trace = 6.720498466030922 (9.72285e-10% change)
large trace change predicted (2.34671e-09%)
linmin: converged after 4 iterations.
iteration 119: trace = 6.720498465873208 (2.34677e-09% change)
linmin: converged after 4 iterations.
iteration 120: trace = 6.720498465788122 (1.26606e-09% change)
linmin: converged after 4 iterations.
iteration 121: trace = 6.72049846573104 (8.49363e-10% change)
linmin: converged after 4 iterations.
iteration 122: trace = 6.720498465696925 (5.07638e-10% change)
large trace change predicted (1.13909e-09%)
linmin: converged after 4 iterations.
iteration 123: trace = 6.720498465620373 (1.13907e-09% change)
linmin: converged after 4 iterations.
iteration 124: trace = 6.720498465587363 (4.91198e-10% change)
linmin: converged after 4 iterations.
iteration 125: trace = 6.720498465572864 (2.15737e-10% change)
linmin: converged after 3 iterations.
iteration 126: trace = 6.720498465558189 (2.18354e-10% change)
linmin: converged after 3 iterations.
iteration 127: trace = 6.720498465551671 (9.69919e-11% change)
Finished solving for bands 1 to 8 after 127 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808
elapsed time for k point: 2.0350887775421143
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.805955556140274 (0.370677% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.786471737212765 (0.286686% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.766412303737587 (0.296017% change)
linmin: converged after 5 iterations.
iteration 4: trace = 6.762821519024953 (0.0530819% change)
large trace change predicted (0.161506%)
linmin: converged after 4 iterations.
iteration 5: trace = 6.751550698624738 (0.166798% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.745349113007221 (0.0918964% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.741351595821003 (0.0592809% change)
linmin: converged after 3 iterations.
iteration 8: trace = 6.737815037306753 (0.0524744% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.736500269504852 (0.0195152% change)
large trace change predicted (0.0500715%)
linmin: converged after 3 iterations.
iteration 10: trace = 6.73311324788274 (0.0502913% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.731523288857191 (0.0236168% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.729172175479501 (0.034933% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.726626362365467 (0.0378396% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.725266958049311 (0.0202113% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.722631997987897 (0.0391877% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.721297487258514 (0.019853% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.718798677954432 (0.0371844% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.717806389042686 (0.0147699% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.716974632417087 (0.0123821% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.716373073156239 (0.00895621% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.716154314212861 (0.00325715% change)
large trace change predicted (0.010166%)
linmin: converged after 3 iterations.
iteration 22: trace = 6.715471644375278 (0.0101651% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.71518352147316 (0.00429053% change)
large trace change predicted (0.0113975%)
linmin: converged after 4 iterations.
iteration 24: trace = 6.714417842276712 (0.0114029% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.71402394833166 (0.00586656% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.713806570525517 (0.00323772% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.713579695830396 (0.00337928% change)
linmin: converged after 4 iterations.
iteration 28: trace = 6.713511757404212 (0.00101196% change)
large trace change predicted (0.00208817%)
linmin: converged after 3 iterations.
iteration 29: trace = 6.713371332358085 (0.0020917% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.713315097566395 (0.000837657% change)
large trace change predicted (0.00185176%)
linmin: converged after 5 iterations.
iteration 31: trace = 6.713190944166159 (0.00184938% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.7131186964011 (0.00107621% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.713048706918499 (0.00104258% change)
linmin: converged after 4 iterations.
iteration 34: trace = 6.712960197297235 (0.00131848% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.712939425580438 (0.000309428% change)
large trace change predicted (0.000713864%)
linmin: converged after 3 iterations.
iteration 36: trace = 6.71289150503998 (0.000713856% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.712883805566732 (0.000114697% change)
large trace change predicted (0.000489954%)
linmin: converged after 4 iterations.
iteration 38: trace = 6.712850924275557 (0.000489825% change)
linmin: converged after 19 iterations.
iteration 39: trace = 6.712831958893488 (0.000282524% change)
linmin: converged after 3 iterations.
iteration 40: trace = 6.712819123704335 (0.000191204% change)
linmin: converged after 6 iterations.
iteration 41: trace = 6.712799138643009 (0.000297715% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.712794545329164 (6.84262e-05% change)
large trace change predicted (0.000162524%)
linmin: converged after 3 iterations.
iteration 43: trace = 6.712783638971096 (0.000162471% change)
linmin: converged after 5 iterations.
iteration 44: trace = 6.712781297147715 (3.4886e-05% change)
large trace change predicted (8.74701e-05%)
linmin: converged after 3 iterations.
iteration 45: trace = 6.712775425512478 (8.74695e-05% change)
linmin: converged after 4 iterations.
iteration 46: trace = 6.712773788701442 (2.43835e-05% change)
large trace change predicted (5.15564e-05%)
linmin: converged after 3 iterations.
iteration 47: trace = 6.712770326443451 (5.15772e-05% change)
linmin: converged after 3 iterations.
iteration 48: trace = 6.712767503408735 (4.20547e-05% change)
linmin: converged after 6 iterations.
iteration 49: trace = 6.712766705976109 (1.18793e-05% change)
large trace change predicted (4.49264e-05%)
linmin: converged after 4 iterations.
iteration 50: trace = 6.71276368972368 (4.49331e-05% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.712763102513145 (8.74767e-06% change)
large trace change predicted (2.71726e-05%)
linmin: converged after 3 iterations.
iteration 52: trace = 6.712761278472607 (2.71727e-05% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.712760420261901 (1.27848e-05% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.712759718319123 (1.04568e-05% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.71275902232367 (1.03682e-05% change)
linmin: converged after 11 iterations.
iteration 56: trace = 6.712758847542699 (2.60371e-06% change)
large trace change predicted (8.44623e-06%)
linmin: converged after 5 iterations.
iteration 57: trace = 6.712758280673249 (8.44466e-06% change)
linmin: converged after 3 iterations.
iteration 58: trace = 6.712758165186811 (1.7204e-06% change)
large trace change predicted (5.84776e-06%)
linmin: converged after 4 iterations.
iteration 59: trace = 6.712757772705874 (5.84679e-06% change)
linmin: converged after 7 iterations.
iteration 60: trace = 6.71275757260235 (2.98094e-06% change)
linmin: converged after 3 iterations.
iteration 61: trace = 6.712757429146562 (2.13706e-06% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.712757251616035 (2.64467e-06% change)
linmin: converged after 3 iterations.
iteration 63: trace = 6.712757218523445 (4.92981e-07% change)
large trace change predicted (1.75914e-06%)
linmin: converged after 3 iterations.
iteration 64: trace = 6.712757100431663 (1.75921e-06% change)
linmin: converged after 3 iterations.
iteration 65: trace = 6.712757077204495 (3.46015e-07% change)
large trace change predicted (7.749e-07%)
linmin: converged after 11 iterations.
iteration 66: trace = 6.712757025186075 (7.74919e-07% change)
linmin: converged after 5 iterations.
iteration 67: trace = 6.712756982495279 (6.35965e-07% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.712756959208504 (3.46903e-07% change)
linmin: converged after 2 iterations.
iteration 69: trace = 6.712756913014613 (6.88151e-07% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.71275690086043 (1.81061e-07% change)
linmin: converged after 4 iterations.
iteration 71: trace = 6.712756887622769 (1.97202e-07% change)
linmin: converged after 4 iterations.
iteration 72: trace = 6.712756883398935 (6.29225e-08% change)
large trace change predicted (1.50495e-07%)
linmin: converged after 4 iterations.
iteration 73: trace = 6.712756873296715 (1.50493e-07% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.712756865398307 (1.17663e-07% change)
linmin: converged after 11 iterations.
iteration 75: trace = 6.712756859678924 (8.52017e-08% change)
large trace change predicted (2.04395e-07%)
linmin: converged after 4 iterations.
iteration 76: trace = 6.712756845958428 (2.04394e-07% change)
linmin: converged after 8 iterations.
iteration 77: trace = 6.712756843616824 (3.48829e-08% change)
large trace change predicted (1.27333e-07%)
linmin: converged after 3 iterations.
iteration 78: trace = 6.712756835069192 (1.27334e-07% change)
linmin: converged after 6 iterations.
iteration 79: trace = 6.712756830481178 (6.83477e-08% change)
linmin: converged after 4 iterations.
iteration 80: trace = 6.712756828633961 (2.7518e-08% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.712756824945631 (5.49451e-08% change)
linmin: converged after 8 iterations.
iteration 82: trace = 6.712756821600133 (4.98379e-08% change)
linmin: converged after 5 iterations.
iteration 83: trace = 6.712756819597407 (2.98346e-08% change)
linmin: converged after 5 iterations.
iteration 84: trace = 6.712756818706199 (1.32763e-08% change)
large trace change predicted (2.89885e-08%)
linmin: converged after 4 iterations.
iteration 85: trace = 6.712756816760288 (2.89883e-08% change)
linmin: converged after 4 iterations.
iteration 86: trace = 6.712756815150729 (2.39776e-08% change)
linmin: converged after 4 iterations.
iteration 87: trace = 6.712756814905236 (3.6571e-09% change)
large trace change predicted (1.10318e-08%)
linmin: converged after 2 iterations.
iteration 88: trace = 6.712756814164701 (1.10318e-08% change)
linmin: converged after 6 iterations.
iteration 89: trace = 6.712756813774292 (5.81592e-09% change)
linmin: converged after 4 iterations.
iteration 90: trace = 6.712756813420962 (5.26356e-09% change)
linmin: converged after 4 iterations.
iteration 91: trace = 6.712756812889936 (7.91071e-09% change)
linmin: converged after 18 iterations.
iteration 92: trace = 6.712756812738028 (2.26297e-09% change)
large trace change predicted (5.55353e-09%)
linmin: converged after 4 iterations.
iteration 93: trace = 6.712756812365232 (5.55355e-09% change)
linmin: converged after 5 iterations.
iteration 94: trace = 6.712756811971886 (5.85968e-09% change)
linmin: converged after 4 iterations.
iteration 95: trace = 6.71275681189128 (1.20078e-09% change)
large trace change predicted (3.72477e-09%)
linmin: converged after 5 iterations.
iteration 96: trace = 6.712756811641245 (3.72477e-09% change)
linmin: converged after 4 iterations.
iteration 97: trace = 6.712756811541787 (1.48163e-09% change)
linmin: converged after 12 iterations.
iteration 98: trace = 6.712756811501063 (6.06664e-10% change)
large trace change predicted (1.81005e-09%)
linmin: converged after 9 iterations.
iteration 99: trace = 6.712756811379562 (1.81e-09% change)
linmin: converged after 17 iterations.
iteration 100: trace = 6.712756811258247 (1.80724e-09% change)
linmin: converged after 6 iterations.
iteration 101: trace = 6.712756811215185 (6.41502e-10% change)
linmin: converged after 16 iterations.
iteration 102: trace = 6.71275681116723 (7.14379e-10% change)
linmin: converged after 3 iterations.
iteration 103: trace = 6.712756811117323 (7.43461e-10% change)
linmin: converged after 3 iterations.
iteration 104: trace = 6.71275681110847 (1.31889e-10% change)
large trace change predicted (4.47684e-10%)
linmin: converged after 7 iterations.
iteration 105: trace = 6.712756811078423 (4.47612e-10% change)
linmin: converged after 6 iterations.
iteration 106: trace = 6.712756811072339 (9.06337e-11% change)
Finished solving for bands 1 to 8 after 106 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782
elapsed time for k point: 1.6417551040649414
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.80444734924149 (0.0750996% change)
large trace change predicted (0.247839%)
linmin: converged after 3 iterations.
iteration 2: trace = 6.787509679861592 (0.249231% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.784166205009097 (0.0492714% change)
large trace change predicted (0.154113%)
linmin: converged after 4 iterations.
iteration 4: trace = 6.773847204144591 (0.15222% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.772519904103218 (0.0195964% change)
large trace change predicted (0.0906923%)
linmin: converged after 4 iterations.
iteration 6: trace = 6.76622101075382 (0.0930499% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.765489299171062 (0.0108148% change)
large trace change predicted (0.0789854%)
linmin: converged after 4 iterations.
iteration 8: trace = 6.75996017814931 (0.0817588% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.759699816788689 (0.0038516% change)
large trace change predicted (0.0309306%)
linmin: converged after 3 iterations.
iteration 10: trace = 6.757603803320771 (0.0310123% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.757368976585108 (0.00347506% change)
large trace change predicted (0.0247087%)
linmin: converged after 4 iterations.
iteration 12: trace = 6.755700228916115 (0.0246983% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.755504759812125 (0.00289344% change)
large trace change predicted (0.0128513%)
linmin: converged after 4 iterations.
iteration 14: trace = 6.754652096422456 (0.0126226% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.754115825109953 (0.0079396% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.753542646068752 (0.00848673% change)
large trace change predicted (0.0199712%)
linmin: converged after 3 iterations.
iteration 17: trace = 6.752183278343487 (0.0201302% change)
linmin: converged after 4 iterations.
iteration 18: trace = 6.752084930996202 (0.00145654% change)
large trace change predicted (0.0158811%)
linmin: converged after 4 iterations.
iteration 19: trace = 6.751015895306619 (0.0158339% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.750877629110741 (0.0020481% change)
large trace change predicted (0.0154238%)
linmin: converged after 3 iterations.
iteration 21: trace = 6.749833196250931 (0.0154723% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.74972827126466 (0.00155449% change)
large trace change predicted (0.0115028%)
linmin: converged after 4 iterations.
iteration 23: trace = 6.748951997189061 (0.0115015% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.748764535701455 (0.00277768% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.748475952935589 (0.00427617% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.748262766578589 (0.00315908% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.748165115519629 (0.00144707% change)
large trace change predicted (0.00385758%)
linmin: converged after 4 iterations.
iteration 28: trace = 6.747905812809182 (0.00384264% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.747846590929771 (0.000877637% change)
large trace change predicted (0.00317726%)
linmin: converged after 4 iterations.
iteration 30: trace = 6.747632828218109 (0.00316792% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.747606380527159 (0.000391956% change)
large trace change predicted (0.00306595%)
linmin: converged after 3 iterations.
iteration 32: trace = 6.747399940914338 (0.0030595% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.747387710034533 (0.000181268% change)
large trace change predicted (0.00242345%)
linmin: converged after 4 iterations.
iteration 34: trace = 6.747225000358066 (0.00241148% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.747193961895454 (0.000460019% change)
large trace change predicted (0.00107876%)
linmin: converged after 4 iterations.
iteration 36: trace = 6.74712142606743 (0.00107506% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.747099769663224 (0.000320973% change)
large trace change predicted (0.000751368%)
linmin: converged after 4 iterations.
iteration 38: trace = 6.747049140982288 (0.00075038% change)
linmin: converged after 3 iterations.
iteration 39: trace = 6.747008135494828 (0.000607756% change)
linmin: converged after 5 iterations.
iteration 40: trace = 6.746998865269536 (0.000137398% change)
large trace change predicted (0.000631446%)
linmin: converged after 3 iterations.
iteration 41: trace = 6.746956260900427 (0.000631459% change)
linmin: converged after 5 iterations.
iteration 42: trace = 6.746953502611817 (4.0882e-05% change)
large trace change predicted (0.000481262%)
linmin: converged after 11 iterations.
iteration 43: trace = 6.746921045032736 (0.000481071% change)
linmin: converged after 4 iterations.
iteration 44: trace = 6.746917365692235 (5.45336e-05% change)
large trace change predicted (0.000269929%)
linmin: converged after 4 iterations.
iteration 45: trace = 6.746899157853357 (0.000269869% change)
linmin: converged after 6 iterations.
iteration 46: trace = 6.746895007824238 (6.15102e-05% change)
large trace change predicted (0.000193122%)
linmin: converged after 3 iterations.
iteration 47: trace = 6.746881970177647 (0.000193239% change)
linmin: converged after 5 iterations.
iteration 48: trace = 6.746874481051124 (0.000111001% change)
linmin: converged after 3 iterations.
iteration 49: trace = 6.74686814248656 (9.39482e-05% change)
linmin: converged after 7 iterations.
iteration 50: trace = 6.746857504298402 (0.000157676% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.746855514151282 (2.94974e-05% change)
large trace change predicted (0.000214674%)
linmin: converged after 3 iterations.
iteration 52: trace = 6.746841038003201 (0.000214562% change)
linmin: converged after 3 iterations.
iteration 53: trace = 6.746840193670483 (1.25145e-05% change)
large trace change predicted (9.31738e-05%)
linmin: converged after 5 iterations.
iteration 54: trace = 6.746833910175999 (9.31324e-05% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.746833185907565 (1.07349e-05% change)
large trace change predicted (5.96601e-05%)
linmin: converged after 3 iterations.
iteration 56: trace = 6.746829162206959 (5.96384e-05% change)
linmin: converged after 4 iterations.
iteration 57: trace = 6.746828725866173 (6.46735e-06% change)
large trace change predicted (2.46907e-05%)
linmin: converged after 4 iterations.
iteration 58: trace = 6.746827060843097 (2.46786e-05% change)
linmin: converged after 3 iterations.
iteration 59: trace = 6.746825889475502 (1.73618e-05% change)
linmin: converged after 6 iterations.
iteration 60: trace = 6.74682545200113 (6.48415e-06% change)
large trace change predicted (2.95707e-05%)
linmin: converged after 3 iterations.
iteration 61: trace = 6.746823456747949 (2.95732e-05% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.746823127121569 (4.88565e-06% change)
large trace change predicted (2.68461e-05%)
linmin: converged after 4 iterations.
iteration 63: trace = 6.74682131595374 (2.68448e-05% change)
linmin: converged after 5 iterations.
iteration 64: trace = 6.746821184315568 (1.95111e-06% change)
large trace change predicted (1.52571e-05%)
linmin: converged after 4 iterations.
iteration 65: trace = 6.746820154868746 (1.52583e-05% change)
linmin: converged after 8 iterations.
iteration 66: trace = 6.74682008163167 (1.08551e-06% change)
large trace change predicted (7.09045e-06%)
linmin: converged after 4 iterations.
iteration 67: trace = 6.746819603220008 (7.09092e-06% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.746819452762287 (2.23005e-06% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.746819257111356 (2.8999e-06% change)
resetting CG direction...
linmin: converged after 3 iterations.
iteration 70: trace = 6.746819148968335 (1.60287e-06% change)
linmin: converged after 4 iterations.
iteration 71: trace = 6.746819008645379 (2.07984e-06% change)
linmin: converged after 3 iterations.
iteration 72: trace = 6.746818910115123 (1.4604e-06% change)
linmin: converged after 3 iterations.
iteration 73: trace = 6.746818744942249 (2.44816e-06% change)
linmin: converged after 5 iterations.
iteration 74: trace = 6.746818616848882 (1.89857e-06% change)
linmin: converged after 4 iterations.
iteration 75: trace = 6.746818399168993 (3.22641e-06% change)
linmin: converged after 3 iterations.
iteration 76: trace = 6.746818285618526 (1.68302e-06% change)
linmin: converged after 3 iterations.
iteration 77: trace = 6.746818109702566 (2.60739e-06% change)
linmin: converged after 5 iterations.
iteration 78: trace = 6.746818071150313 (5.71414e-07% change)
large trace change predicted (1.54215e-06%)
linmin: converged after 3 iterations.
iteration 79: trace = 6.746817967106427 (1.54212e-06% change)
linmin: converged after 6 iterations.
iteration 80: trace = 6.746817914962205 (7.72871e-07% change)
linmin: converged after 3 iterations.
iteration 81: trace = 6.746817907520573 (1.10298e-07% change)
large trace change predicted (1.26309e-06%)
linmin: converged after 3 iterations.
iteration 82: trace = 6.746817822299007 (1.26314e-06% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.746817816412691 (8.72458e-08% change)
large trace change predicted (1.121e-06%)
linmin: converged after 17 iterations.
iteration 84: trace = 6.746817740783988 (1.12095e-06% change)
linmin: converged after 5 iterations.
iteration 85: trace = 6.746817736291042 (6.65936e-08% change)
large trace change predicted (5.27588e-07%)
linmin: converged after 4 iterations.
iteration 86: trace = 6.746817700696071 (5.27582e-07% change)
linmin: converged after 2 iterations.
iteration 87: trace = 6.746817697537579 (4.68145e-08% change)
large trace change predicted (2.42189e-07%)
linmin: converged after 3 iterations.
iteration 88: trace = 6.746817681197692 (2.42187e-07% change)
linmin: converged after 10 iterations.
iteration 89: trace = 6.746817679551438 (2.44004e-08% change)
large trace change predicted (2.00116e-07%)
linmin: converged after 4 iterations.
iteration 90: trace = 6.746817666050124 (2.00114e-07% change)
linmin: converged after 7 iterations.
iteration 91: trace = 6.746817665195209 (1.26714e-08% change)
large trace change predicted (1.41807e-07%)
linmin: converged after 4 iterations.
iteration 92: trace = 6.746817655627826 (1.41806e-07% change)
linmin: converged after 17 iterations.
iteration 93: trace = 6.746817651729666 (5.77778e-08% change)
linmin: converged after 3 iterations.
iteration 94: trace = 6.746817646131488 (8.29751e-08% change)
linmin: converged after 22 iterations.
iteration 95: trace = 6.746817644277099 (2.74854e-08% change)
large trace change predicted (9.75244e-08%)
linmin: converged after 6 iterations.
iteration 96: trace = 6.746817637697275 (9.75249e-08% change)
linmin: converged after 3 iterations.
iteration 97: trace = 6.746817631613324 (9.01751e-08% change)
linmin: converged after 4 iterations.
iteration 98: trace = 6.746817629969141 (2.43698e-08% change)
large trace change predicted (5.62167e-08%)
linmin: converged after 7 iterations.
iteration 99: trace = 6.746817626176255 (5.62174e-08% change)
linmin: converged after 4 iterations.
iteration 100: trace = 6.746817625998658 (2.6323e-09% change)
large trace change predicted (2.67258e-08%)
linmin: converged after 5 iterations.
iteration 101: trace = 6.746817624195511 (2.67259e-08% change)
linmin: converged after 18 iterations.
iteration 102: trace = 6.746817624092343 (1.52914e-09% change)
large trace change predicted (1.60312e-08%)
linmin: converged after 7 iterations.
iteration 103: trace = 6.746817623010754 (1.60311e-08% change)
linmin: converged after 4 iterations.
iteration 104: trace = 6.746817622436037 (8.51834e-09% change)
linmin: converged after 4 iterations.
iteration 105: trace = 6.746817621785468 (9.64261e-09% change)
linmin: converged after 5 iterations.
iteration 106: trace = 6.74681762145442 (4.90673e-09% change)
large trace change predicted (1.3825e-08%)
linmin: converged after 11 iterations.
iteration 107: trace = 6.746817620521669 (1.3825e-08% change)
linmin: converged after 3 iterations.
iteration 108: trace = 6.74681762035762 (2.43151e-09% change)
large trace change predicted (1.04639e-08%)
linmin: converged after 3 iterations.
iteration 109: trace = 6.746817619651639 (1.04639e-08% change)
linmin: converged after 21 iterations.
iteration 110: trace = 6.746817619527318 (1.84265e-09% change)
large trace change predicted (4.56389e-09%)
linmin: converged after 5 iterations.
iteration 111: trace = 6.746817619219398 (4.56393e-09% change)
linmin: converged after 21 iterations.
iteration 112: trace = 6.746817619050921 (2.49714e-09% change)
linmin: converged after 13 iterations.
iteration 113: trace = 6.746817619023888 (4.00672e-10% change)
large trace change predicted (3.13756e-09%)
linmin: converged after 8 iterations.
iteration 114: trace = 6.746817618812205 (3.13753e-09% change)
linmin: converged after 30 iterations.
iteration 115: trace = 6.746817618787656 (3.63864e-10% change)
large trace change predicted (2.92371e-09%)
linmin: converged after 4 iterations.
iteration 116: trace = 6.746817618590385 (2.92391e-09% change)
linmin: converged after 13 iterations.
iteration 117: trace = 6.746817618580838 (1.41504e-10% change)
large trace change predicted (1.13475e-09%)
linmin: converged after 6 iterations.
iteration 118: trace = 6.746817618504276 (1.13478e-09% change)
linmin: converged after 14 iterations.
iteration 119: trace = 6.746817618454823 (7.32981e-10% change)
linmin: converged after 4 iterations.
iteration 120: trace = 6.746817618415577 (5.81696e-10% change)
large trace change predicted (1.74193e-09%)
linmin: converged after 4 iterations.
iteration 121: trace = 6.746817618298057 (1.74186e-09% change)
linmin: converged after 6 iterations.
iteration 122: trace = 6.746817618288061 (1.48165e-10% change)
large trace change predicted (1.20878e-09%)
linmin: converged after 3 iterations.
iteration 123: trace = 6.746817618206498 (1.20891e-09% change)
linmin: converged after 18 iterations.
iteration 124: trace = 6.746817618200175 (9.37174e-11% change)
Finished solving for bands 1 to 8 after 124 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: 1.9192192554473877
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 6.925815589740352 (0.213086% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.912657451418982 (0.190167% change)
linmin: converged after 3 iterations.
iteration 3: trace = 6.904259207642106 (0.121565% change)
linmin: converged after 5 iterations.
iteration 4: trace = 6.896683306528804 (0.109788% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.893478340658833 (0.0464819% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.890275249404994 (0.0464763% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.88746232226138 (0.0408329% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.882497665665549 (0.0721085% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.879291206270548 (0.0465995% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.875157179961427 (0.0601118% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.872798467860802 (0.0343136% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.870795223905797 (0.0291517% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.868396093380295 (0.0349239% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.866214612792483 (0.0317662% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.864840271539301 (0.020018% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.864049240915596 (0.0115236% change)
large trace change predicted (0.0249863%)
linmin: converged after 3 iterations.
iteration 17: trace = 6.862313424264353 (0.0252917% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.860715394507212 (0.0232898% change)
linmin: converged after 3 iterations.
iteration 19: trace = 6.859968989175805 (0.01088% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.859392109237456 (0.00840972% change)
linmin: converged after 3 iterations.
iteration 21: trace = 6.858827626036319 (0.00822969% change)
linmin: converged after 3 iterations.
iteration 22: trace = 6.858164505689224 (0.0096686% change)
linmin: converged after 3 iterations.
iteration 23: trace = 6.857406250653263 (0.0110568% change)
linmin: converged after 3 iterations.
iteration 24: trace = 6.85683287536164 (0.00836175% change)
linmin: converged after 3 iterations.
iteration 25: trace = 6.856491631888686 (0.00497682% change)
linmin: converged after 3 iterations.
iteration 26: trace = 6.856252250422006 (0.00349137% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.85604893183505 (0.00296549% change)
linmin: converged after 3 iterations.
iteration 28: trace = 6.855800417232196 (0.00362482% change)
linmin: converged after 3 iterations.
iteration 29: trace = 6.855651439140903 (0.00217305% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.855512464226376 (0.00202718% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.855355734278182 (0.00228621% change)
linmin: converged after 3 iterations.
iteration 32: trace = 6.855230972393667 (0.00181994% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.855155374530219 (0.00110278% change)
linmin: converged after 4 iterations.
iteration 34: trace = 6.855094933253942 (0.000881695% change)
linmin: converged after 3 iterations.
iteration 35: trace = 6.855025229467456 (0.00101682% change)
linmin: converged after 3 iterations.
iteration 36: trace = 6.854917696537447 (0.00156869% change)
linmin: converged after 3 iterations.
iteration 37: trace = 6.85486549815063 (0.000761476% change)
linmin: converged after 5 iterations.
iteration 38: trace = 6.854810992220552 (0.000795145% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.854754440769444 (0.000824993% change)
linmin: converged after 4 iterations.
iteration 40: trace = 6.85469886899431 (0.000810707% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.854636662939932 (0.000907499% change)
linmin: converged after 3 iterations.
iteration 42: trace = 6.854585365974754 (0.000748357% change)
linmin: converged after 4 iterations.
iteration 43: trace = 6.854557548022263 (0.000405831% change)
linmin: converged after 3 iterations.
iteration 44: trace = 6.854534994185942 (0.000329035% change)
linmin: converged after 3 iterations.
iteration 45: trace = 6.85450785550156 (0.000395924% change)
linmin: converged after 3 iterations.
iteration 46: trace = 6.854474005050851 (0.000493843% change)
linmin: converged after 3 iterations.
iteration 47: trace = 6.854448914649447 (0.000366045% change)
linmin: converged after 4 iterations.
iteration 48: trace = 6.854430745914645 (0.000265065% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.854409553926399 (0.000309173% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.85438682062453 (0.00033166% change)
linmin: converged after 3 iterations.
iteration 51: trace = 6.854372357809184 (0.000211001% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.854363723374869 (0.00012597% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.854355940929942 (0.00011354% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.85434821874854 (0.000112661% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.854341815286637 (9.34219e-05% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.854336867721653 (7.21815e-05% change)
linmin: converged after 5 iterations.
iteration 57: trace = 6.854332981607654 (5.66957e-05% change)
linmin: converged after 4 iterations.
iteration 58: trace = 6.854328856576943 (6.01814e-05% change)
linmin: converged after 4 iterations.
iteration 59: trace = 6.854325493483163 (4.90653e-05% change)
linmin: converged after 2 iterations.
iteration 60: trace = 6.854320731159143 (6.94791e-05% change)
linmin: converged after 2 iterations.
iteration 61: trace = 6.854317900868841 (4.12921e-05% change)
linmin: converged after 3 iterations.
iteration 62: trace = 6.854316466823581 (2.09218e-05% change)
linmin: converged after 4 iterations.
iteration 63: trace = 6.854314812695256 (2.41327e-05% change)
linmin: converged after 5 iterations.
iteration 64: trace = 6.854312708151092 (3.07039e-05% change)
linmin: converged after 4 iterations.
iteration 65: trace = 6.854310570389338 (3.11886e-05% change)
linmin: converged after 3 iterations.
iteration 66: trace = 6.85430927581082 (1.88871e-05% change)
linmin: converged after 4 iterations.
iteration 67: trace = 6.854307864176373 (2.05948e-05% change)
linmin: converged after 3 iterations.
iteration 68: trace = 6.854306225951006 (2.39007e-05% change)
linmin: converged after 4 iterations.
iteration 69: trace = 6.854304757710064 (2.14207e-05% change)
resetting CG direction...
linmin: converged after 4 iterations.
iteration 70: trace = 6.854304291924876 (6.79551e-06% change)
linmin: converged after 2 iterations.
iteration 71: trace = 6.854303980931975 (4.53719e-06% change)
linmin: converged after 2 iterations.
iteration 72: trace = 6.854303707086157 (3.99524e-06% change)
linmin: converged after 6 iterations.
iteration 73: trace = 6.854303306312968 (5.84703e-06% change)
linmin: converged after 3 iterations.
iteration 74: trace = 6.854303028530163 (4.05268e-06% change)
linmin: converged after 6 iterations.
iteration 75: trace = 6.85430285708269 (2.50131e-06% change)
linmin: converged after 2 iterations.
iteration 76: trace = 6.85430271647393 (2.05139e-06% change)
linmin: converged after 28 iterations.
iteration 77: trace = 6.854302589384792 (1.85415e-06% change)
linmin: converged after 4 iterations.
iteration 78: trace = 6.854302422075683 (2.44094e-06% change)
linmin: converged after 2 iterations.
iteration 79: trace = 6.854302178708359 (3.55058e-06% change)
linmin: converged after 2 iterations.
iteration 80: trace = 6.854302043218789 (1.97671e-06% change)
linmin: converged after 5 iterations.
iteration 81: trace = 6.854301959912175 (1.21539e-06% change)
linmin: converged after 6 iterations.
iteration 82: trace = 6.854301838226057 (1.77532e-06% change)
linmin: converged after 4 iterations.
iteration 83: trace = 6.854301701178418 (1.99944e-06% change)
linmin: converged after 7 iterations.
iteration 84: trace = 6.854301574170723 (1.85296e-06% change)
linmin: converged after 3 iterations.
iteration 85: trace = 6.854301492777619 (1.18747e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 6.854301369197436 (1.80296e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 6.854301206123752 (2.37914e-06% change)
linmin: converged after 3 iterations.
iteration 88: trace = 6.854301115069514 (1.32842e-06% change)
linmin: converged after 8 iterations.
iteration 89: trace = 6.85430106142502 (7.8264e-07% change)
linmin: converged after 2 iterations.
iteration 90: trace = 6.854301010593968 (7.41594e-07% change)
linmin: converged after 4 iterations.
iteration 91: trace = 6.85430095417636 (8.23098e-07% change)
linmin: converged after 3 iterations.
iteration 92: trace = 6.854300910084266 (6.43276e-07% change)
linmin: converged after 11 iterations.
iteration 93: trace = 6.854300884311806 (3.76004e-07% change)
linmin: converged after 2 iterations.
iteration 94: trace = 6.854300873286673 (1.6085e-07% change)
linmin: converged after 3 iterations.
iteration 95: trace = 6.854300863332568 (1.45224e-07% change)
linmin: converged after 4 iterations.
iteration 96: trace = 6.854300852298006 (1.60987e-07% change)
linmin: converged after 3 iterations.
iteration 97: trace = 6.854300845287994 (1.02272e-07% change)
linmin: converged after 4 iterations.
iteration 98: trace = 6.85430083971744 (8.12709e-08% change)
linmin: converged after 4 iterations.
iteration 99: trace = 6.854300833154365 (9.57512e-08% change)
linmin: converged after 2 iterations.
iteration 100: trace = 6.85430082495542 (1.19618e-07% change)
linmin: converged after 5 iterations.
iteration 101: trace = 6.854300821454061 (5.10827e-08% change)
linmin: converged after 4 iterations.
iteration 102: trace = 6.85430081941635 (2.97289e-08% change)
linmin: converged after 7 iterations.
iteration 103: trace = 6.854300816198153 (4.69515e-08% change)
linmin: converged after 6 iterations.
iteration 104: trace = 6.854300810981886 (7.61021e-08% change)
linmin: converged after 4 iterations.
iteration 105: trace = 6.854300805513756 (7.97766e-08% change)
linmin: converged after 2 iterations.
iteration 106: trace = 6.854300800838592 (6.82077e-08% change)
linmin: converged after 4 iterations.
iteration 107: trace = 6.854300798699084 (3.12141e-08% change)
linmin: converged after 11 iterations.
iteration 108: trace = 6.854300795827652 (4.18924e-08% change)
large trace change predicted (8.57014e-08%)
linmin: converged after 3 iterations.
iteration 109: trace = 6.854300789953402 (8.57017e-08% change)
linmin: converged after 12 iterations.
iteration 110: trace = 6.854300784489385 (7.97166e-08% change)
linmin: converged after 3 iterations.
iteration 111: trace = 6.854300782589322 (2.77207e-08% change)
linmin: converged after 4 iterations.
iteration 112: trace = 6.854300780944767 (2.3993e-08% change)
linmin: converged after 4 iterations.
iteration 113: trace = 6.854300777947171 (4.37331e-08% change)
linmin: converged after 2 iterations.
iteration 114: trace = 6.854300776043421 (2.77745e-08% change)
linmin: converged after 23 iterations.
iteration 115: trace = 6.854300775108526 (1.36395e-08% change)
linmin: converged after 14 iterations.
iteration 116: trace = 6.854300773907577 (1.75211e-08% change)
linmin: converged after 15 iterations.
iteration 117: trace = 6.854300773061912 (1.23377e-08% change)
linmin: converged after 2 iterations.
iteration 118: trace = 6.854300772493293 (8.2958e-09% change)
linmin: converged after 2 iterations.
iteration 119: trace = 6.85430077209776 (5.77057e-09% change)
linmin: converged after 15 iterations.
iteration 120: trace = 6.854300771871914 (3.29495e-09% change)
linmin: converged after 4 iterations.
iteration 121: trace = 6.854300771709916 (2.36346e-09% change)
linmin: converged after 3 iterations.
iteration 122: trace = 6.854300771420593 (4.22105e-09% change)
linmin: converged after 2 iterations.
iteration 123: trace = 6.854300771299132 (1.77203e-09% change)
linmin: converged after 4 iterations.
iteration 124: trace = 6.854300771230592 (9.99967e-10% change)
linmin: converged after 2 iterations.
iteration 125: trace = 6.854300771169991 (8.84122e-10% change)
linmin: converged after 14 iterations.
iteration 126: trace = 6.854300771102302 (9.8754e-10% change)
linmin: converged after 3 iterations.
iteration 127: trace = 6.854300771046526 (8.13748e-10% change)
linmin: converged after 3 iterations.
iteration 128: trace = 6.854300771013546 (4.81155e-10% change)
linmin: converged after 4 iterations.
iteration 129: trace = 6.854300770988935 (3.59052e-10% change)
linmin: converged after 3 iterations.
iteration 130: trace = 6.854300770974049 (2.17176e-10% change)
linmin: converged after 6 iterations.
iteration 131: trace = 6.854300770966527 (1.09741e-10% change)
linmin: converged after 3 iterations.
iteration 132: trace = 6.854300770959911 (9.65239e-11% change)
Finished solving for bands 2 to 8 after 132 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597
elapsed time for k point: 1.4031519889831543
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037562 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.4732823234872546 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290579 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.6301802646818522 at Vector3<0.5, 0.5, 0.0> to 0.8037365323032282 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.7017932556977567 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711838 at Vector3<0.5, 0.1, 0.0>
Band 5 range: 0.9047498485810481 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007027 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 1.0077925606102744 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.181540374434172 at Vector3<0.0, 0.0, 0.0>
Band 7 range: 1.12242425197598 at Vector3<0.2, 0.0, 0.0> to 1.2351567679228732 at Vector3<0.3, 0.3, 0.0>
Band 8 range: 1.2059728636717604 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605918 at Vector3<0.30000000000000004, 0.0, 0.0>
Gap from band 1 (0.4165291233037562) to band 2 (0.4732823234872546), 12.756230634742094%
Gap from band 4 (0.8863448167711838) to band 5 (0.9047498485810481), 2.055171305671308%
total elapsed time for run: 33.62090086936951
done
mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill"
Outputting /tmp/meepNmMUdV/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/meepNmMUdV/test_run_te_with_mu_material-0: 33.63s
/tmp/meepNmMUdV/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: 0.004347324371337891
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 11 iterations.
iteration 1: trace = 13.34219610907293 (195.048% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.483795574359497 (83.4846% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.748523532215192 (14.3716% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.479228674727943 (5.83663% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.407766153611952 (1.60825% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.39347495621681 (0.324754% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.387914820099373 (0.126635% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.384214110537608 (0.0843743% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.382673979920924 (0.0351352% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.381187024151609 (0.0339338% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.378592064831688 (0.0592471% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.375630652842539 (0.0676568% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.374037327346271 (0.0364203% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.373782477053666 (0.0058266% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.373742613449529 (0.000911426% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.373730192653552 (0.000283986% change)
linmin: converged after 5 iterations.
iteration 17: trace = 4.373724731089855 (0.000124872% change)
linmin: converged after 8 iterations.
iteration 18: trace = 4.373723431189945 (2.97207e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.373722977265679 (1.03784e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.373722547637936 (9.82293e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 4.373721986617014 (1.28271e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.373721450685765 (1.22534e-05% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.373721224632032 (5.16845e-06% change)
linmin: converged after 5 iterations.
iteration 24: trace = 4.373721180253193 (1.01467e-06% change)
linmin: converged after 6 iterations.
iteration 25: trace = 4.373721172519962 (1.76811e-07% change)
linmin: converged after 8 iterations.
iteration 26: trace = 4.373721170365205 (4.9266e-08% change)
linmin: converged after 6 iterations.
iteration 27: trace = 4.373721169530129 (1.9093e-08% change)
linmin: converged after 7 iterations.
iteration 28: trace = 4.373721169259902 (6.17843e-09% change)
linmin: converged after 4 iterations.
iteration 29: trace = 4.373721169186922 (1.6686e-09% change)
linmin: converged after 3 iterations.
iteration 30: trace = 4.373721169145552 (9.45867e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.373721169066982 (1.79641e-09% change)
linmin: converged after 5 iterations.
iteration 32: trace = 4.373721168966418 (2.29928e-09% change)
linmin: converged after 9 iterations.
iteration 33: trace = 4.373721168940519 (5.92157e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 4.373721168933669 (1.56629e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 4.373721168927967 (1.30352e-10% change)
linmin: converged after 5 iterations.
iteration 36: trace = 4.373721168920081 (1.80307e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 4.373721168904355 (3.59559e-10% change)
large trace change predicted (9.95411e-10%)
linmin: converged after 15 iterations.
iteration 38: trace = 4.373721168860818 (9.95437e-10% change)
large trace change predicted (4.53495e-09%)
linmin: converged after 5 iterations.
iteration 39: trace = 4.373721168662463 (4.53514e-09% change)
large trace change predicted (2.06993e-08%)
linmin: converged after 4 iterations.
iteration 40: trace = 4.373721167757135 (2.06993e-08% change)
large trace change predicted (8.12547e-08%)
linmin: converged after 8 iterations.
iteration 41: trace = 4.373721164203358 (8.12529e-08% change)
linmin: converged after 8 iterations.
iteration 42: trace = 4.373721158306188 (1.34832e-07% change)
linmin: converged after 12 iterations.
iteration 43: trace = 4.373721154434914 (8.85121e-08% change)
linmin: converged after 6 iterations.
iteration 44: trace = 4.373721151273171 (7.22896e-08% change)
large trace change predicted (2.03261e-07%)
linmin: converged after 6 iterations.
iteration 45: trace = 4.373721142383144 (2.0326e-07% change)
large trace change predicted (4.9274e-07%)
linmin: converged after 8 iterations.
iteration 46: trace = 4.373721120835437 (4.92663e-07% change)
linmin: converged after 5 iterations.
iteration 47: trace = 4.373721077940697 (9.80738e-07% change)
large trace change predicted (2.05484e-06%)
linmin: converged after 6 iterations.
iteration 48: trace = 4.373720988619072 (2.04223e-06% change)
linmin: converged after 8 iterations.
iteration 49: trace = 4.373720903714371 (1.94125e-06% change)
linmin: converged after 6 iterations.
iteration 50: trace = 4.373720867157155 (8.35838e-07% change)
linmin: converged after 8 iterations.
iteration 51: trace = 4.373720856044006 (2.54089e-07% change)
linmin: converged after 5 iterations.
iteration 52: trace = 4.373720853588456 (5.61433e-08% change)
linmin: converged after 4 iterations.
iteration 53: trace = 4.373720853008142 (1.32682e-08% change)
linmin: converged after 5 iterations.
iteration 54: trace = 4.373720852589099 (9.58092e-09% change)
linmin: converged after 5 iterations.
iteration 55: trace = 4.373720851988566 (1.37305e-08% change)
linmin: converged after 5 iterations.
iteration 56: trace = 4.37372085152149 (1.06791e-08% change)
linmin: converged after 5 iterations.
iteration 57: trace = 4.373720851245718 (6.30521e-09% change)
linmin: converged after 10 iterations.
iteration 58: trace = 4.37372085109532 (3.43867e-09% change)
linmin: converged after 4 iterations.
iteration 59: trace = 4.373720851044142 (1.17012e-09% change)
linmin: converged after 4 iterations.
iteration 60: trace = 4.3737208510345 (2.20455e-10% change)
linmin: converged after 4 iterations.
iteration 61: trace = 4.373720851032911 (3.63295e-11% change)
Finished solving for bands 2 to 8 after 61 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
elapsed time for k point: 0.3429901599884033
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.357909597334268 (1.16097% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.317128652812811 (0.940191% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.299320141341338 (0.413361% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.292732192743269 (0.15335% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.291500652925099 (0.0286931% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.291042414907309 (0.0106784% change)
linmin: converged after 7 iterations.
iteration 7: trace = 4.290902808803652 (0.00325348% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.290872119433141 (0.000715222% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.290863227385375 (0.000207232% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.290859496349271 (8.69531e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.290858035139753 (3.4054e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.290857390247148 (1.50295e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.290857285464299 (2.442e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.290857271946838 (3.15029e-07% change)
linmin: converged after 7 iterations.
iteration 15: trace = 4.290857267539305 (1.02719e-07% change)
linmin: converged after 10 iterations.
iteration 16: trace = 4.290857264553474 (6.95859e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.290857263488423 (2.48214e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.290857263235875 (5.88573e-09% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.290857263156742 (1.84423e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.290857263115518 (9.60738e-10% change)
linmin: converged after 3 iterations.
iteration 21: trace = 4.290857263096178 (4.50728e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.290857263085607 (2.46343e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.290857263081686 (9.13875e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995
elapsed time for k point: 0.18526315689086914
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 4.213083007785705 (0.515635% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.209110336659554 (0.0943382% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.208519740784533 (0.0140324% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.208361881259885 (0.00375102% change)
linmin: converged after 9 iterations.
iteration 5: trace = 4.208319555170473 (0.00100577% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.208309586621541 (0.000236877% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.208308119593182 (3.48603e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.208307969493145 (3.56675e-06% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.208307959679195 (2.33204e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.208307958636428 (2.47788e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.20830795853723 (2.35722e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.208307958520754 (3.91504e-10% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.208307958519127 (3.8665e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959
elapsed time for k point: 0.10601520538330078
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.153950019177618 (0.446607% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.150919188029379 (0.0729893% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.150508696750682 (0.00988965% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.15045166063172 (0.00137421% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.150445322388951 (0.000152712% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.150444374952516 (2.28273e-05% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.150444119567915 (6.15319e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.150444028145891 (2.2027e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.150444017167717 (2.64506e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.150444015934403 (2.97152e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.150444015836714 (2.35372e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.150444015829236 (1.80163e-10% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.150444015828809 (1.02932e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025
elapsed time for k point: 0.10645055770874023
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.123910812540129 (0.437379% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.120357431810881 (0.0862025% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.119753435230959 (0.0146599% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.119635726773634 (0.00285721% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.119609536145729 (0.000635753% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.119601717815908 (0.000189783% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.119598937494709 (6.74901e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.119598626308933 (7.55379e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.11959860053952 (6.25532e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.119598598763426 (4.31133e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.119598598629697 (3.24618e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.119598598622133 (1.83604e-10% change)
linmin: converged after 15 iterations.
iteration 13: trace = 4.119598598621691 (1.07368e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269
elapsed time for k point: 0.10958981513977051
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.117165244647103 (0.467232% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.112183070107524 (0.121083% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.111188770166956 (0.0241823% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.110889360751753 (0.00728306% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.110807039964517 (0.00200253% change)
linmin: converged after 8 iterations.
iteration 6: trace = 4.110783674084841 (0.000568403% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.110777732801949 (0.000144529% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.110777279787364 (1.10202e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.110777245125227 (8.43202e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.110777242910479 (5.38766e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.11077724273806 (4.19433e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.110777242727877 (2.47692e-10% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.110777242725125 (6.69573e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856
elapsed time for k point: 0.10620760917663574
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.110059673681176 (0.898081% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.101196127928676 (0.215888% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.099627971489972 (0.0382439% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.099504340254177 (0.00301572% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.099491102143227 (0.00032292% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.099490015388636 (2.65095e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.099489970449422 (1.09621e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.099489966039663 (1.07568e-07% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.099489964533704 (3.67353e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.099489964290492 (5.93273e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.099489964275826 (3.57742e-10% change)
linmin: converged after 15 iterations.
iteration 12: trace = 4.099489964274799 (2.50671e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714
elapsed time for k point: 0.09961462020874023
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.085144174621296 (0.762403% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.080119303675819 (0.123079% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.079494012385524 (0.0153265% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.079455619800634 (0.000941116% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.079453223619909 (5.87378e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.079452946245482 (6.7993e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.079452904344983 (1.02711e-06% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.079452897007466 (1.79865e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.079452895879316 (2.76544e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.079452895806831 (1.77683e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.07945289580348 (8.21458e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395
elapsed time for k point: 0.0906074047088623
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.072736189550934 (0.634086% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.069415883231376 (0.0815584% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.068882752148268 (0.0131018% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.068777004347966 (0.00259897% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.068760919591242 (0.000395322% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.06875937327654 (3.80046e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.06875928297324 (2.21943e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.068759277104999 (1.44227e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.068759276275498 (2.03871e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.06875927613926 (3.34841e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.068759276129622 (2.36869e-10% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.068759276129137 (1.19188e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203
elapsed time for k point: 0.09762883186340332
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.080410130891642 (0.563614% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.077287055235415 (0.0765676% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.076189573111655 (0.0269206% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.075628903758915 (0.0137557% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.07553431432466 (0.00232088% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.075527488473313 (0.000167484% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.075526996525165 (1.20708e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.075526953563658 (1.05413e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.075526950544544 (7.40791e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.075526949795472 (1.83798e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.07552694947602 (7.83828e-09% change)
linmin: converged after 13 iterations.
iteration 12: trace = 4.07552694936935 (2.61734e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.075526949350731 (4.56846e-10% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.075526949349669 (2.60644e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273
elapsed time for k point: 0.11365914344787598
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.109437150043211 (0.504849% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.10533579281517 (0.0998532% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.100307330549131 (0.122561% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.093803283589707 (0.158749% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.092241780664412 (0.0381504% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.092157123982814 (0.00206873% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.09215125746551 (0.00014336% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.092150666963198 (1.44301e-05% change)
linmin: converged after 7 iterations.
iteration 9: trace = 4.092150601221078 (1.60654e-06% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.092150512656763 (2.16425e-06% change)
linmin: converged after 16 iterations.
iteration 11: trace = 4.092150442817841 (1.70666e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.092150434447514 (2.04546e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.092150433678662 (1.87885e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.092150433621967 (1.38546e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.092150433618242 (9.10284e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351
elapsed time for k point: 0.12153816223144531
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.126496079114834 (1.11623% change)
linmin: converged after 6 iterations.
iteration 2: trace = 4.089161342233001 (0.908868% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.060628566742863 (0.700209% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.050071416846814 (0.260326% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.047172154685756 (0.0716111% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.046719139225115 (0.011194% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.046656969292298 (0.00153632% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.046652828280002 (0.000102332% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.046652402979411 (1.05099e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.046652262576797 (3.4696e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.046652203574183 (1.45806e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.046652185410185 (4.48865e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.046652183788297 (4.00797e-08% change)
linmin: converged after 12 iterations.
iteration 14: trace = 4.046652183683061 (2.60059e-09% change)
linmin: converged after 6 iterations.
iteration 15: trace = 4.046652183677346 (1.41216e-10% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.046652183676479 (2.14217e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991
elapsed time for k point: 0.1299295425415039
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.050135770395022 (0.874564% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.045155903188768 (0.123031% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.044571128819173 (0.0144572% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.044524919705371 (0.0011425% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.044514961032807 (0.000246226% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.044513397485699 (3.86585e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.044513255709431 (3.5054e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.044513238601187 (4.22999e-07% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.044513236602915 (4.9407e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.044513236418497 (4.5597e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.044513236398146 (5.03193e-10% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.04451323639685 (3.20398e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446
elapsed time for k point: 0.09831953048706055
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.118867255840121 (0.847851% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.114002611070042 (0.118176% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.113487291394073 (0.0125268% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.113430197532733 (0.00138798% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.113416441704805 (0.000334413% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.113415367601674 (2.61122e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.113415271030417 (2.34771e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.113415260853631 (2.47405e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.113415259902216 (2.31296e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.113415259769445 (3.22776e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.113415259756534 (3.13865e-10% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.113415259755486 (2.54788e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551
elapsed time for k point: 0.09810757637023926
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.250028477177001 (0.917879% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.242313588668812 (0.18169% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.241112167052035 (0.028324% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.240834092995955 (0.00655685% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.240767169311716 (0.00157809% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.240753129287403 (0.000331073% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.240750094772398 (7.15561e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.240749691476933 (9.51e-06% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.24074964734328 (1.0407e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.240749642492661 (1.14381e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.240749642080627 (9.71606e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.240749642034737 (1.08213e-09% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.240749642029143 (1.31905e-10% change)
linmin: converged after 7 iterations.
iteration 14: trace = 4.240749642028247 (2.11324e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882
elapsed time for k point: 0.11387085914611816
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.407939681690886 (1.14495% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.390606022122409 (0.394012% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.386367409936512 (0.0965848% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.384518225127987 (0.0421664% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.382809892382551 (0.0389704% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.380355369238238 (0.0560191% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.377811906462434 (0.0580821% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.375795817306049 (0.046063% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.374248315398602 (0.0353713% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.373812357837436 (0.00996695% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.373736281003571 (0.00173939% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.3737256310154 (0.000243499% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.373723713248076 (4.38475e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.37372304371763 (1.5308e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.373722607982313 (9.96257e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.373722430078841 (4.06755e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.373722281618413 (3.39437e-06% change)
large trace change predicted (8.38718e-06%)
linmin: converged after 5 iterations.
iteration 18: trace = 4.37372191477277 (8.38749e-06% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.373721775011841 (3.19547e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.373721750854232 (5.52335e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.373721743706726 (1.63419e-07% change)
linmin: converged after 33 iterations.
iteration 22: trace = 4.373721741956162 (4.00246e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.373721741656365 (6.85452e-09% change)
linmin: converged after 6 iterations.
iteration 24: trace = 4.373721741513575 (3.26472e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.373721741466505 (1.0762e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 4.373721741452129 (3.28692e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 4.373721741432794 (4.42066e-10% change)
large trace change predicted (8.95069e-10%)
linmin: converged after 11 iterations.
iteration 28: trace = 4.37372174139364 (8.95221e-10% change)
linmin: converged after 7 iterations.
iteration 29: trace = 4.373721741340035 (1.2256e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.373721741314159 (5.91629e-10% change)
linmin: converged after 10 iterations.
iteration 31: trace = 4.373721741304111 (2.29735e-10% change)
large trace change predicted (8.84859e-10%)
linmin: converged after 5 iterations.
iteration 32: trace = 4.373721741265409 (8.84884e-10% change)
large trace change predicted (1.78893e-09%)
linmin: converged after 8 iterations.
iteration 33: trace = 4.373721741187168 (1.78888e-09% change)
linmin: converged after 15 iterations.
iteration 34: trace = 4.373721741036681 (3.44072e-09% change)
large trace change predicted (3.16544e-08%)
linmin: converged after 7 iterations.
iteration 35: trace = 4.373721739652213 (3.16542e-08% change)
large trace change predicted (1.81437e-07%)
linmin: converged after 23 iterations.
iteration 36: trace = 4.373721731717386 (1.8142e-07% change)
large trace change predicted (7.42808e-07%)
linmin: converged after 5 iterations.
iteration 37: trace = 4.373721699261492 (7.42066e-07% change)
large trace change predicted (1.81171e-06%)
linmin: converged after 9 iterations.
iteration 38: trace = 4.373721620582588 (1.7989e-06% change)
large trace change predicted (3.98463e-06%)
linmin: converged after 7 iterations.
iteration 39: trace = 4.373721449998931 (3.90019e-06% change)
linmin: converged after 6 iterations.
iteration 40: trace = 4.373721352070095 (2.23903e-06% change)
linmin: converged after 8 iterations.
iteration 41: trace = 4.373721289885363 (1.42178e-06% change)
linmin: converged after 4 iterations.
iteration 42: trace = 4.373721193459067 (2.20467e-06% change)
linmin: converged after 11 iterations.
iteration 43: trace = 4.3737211233754 (1.60238e-06% change)
linmin: converged after 7 iterations.
iteration 44: trace = 4.373721026076961 (2.22461e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 4.373720919620674 (2.434e-06% change)
linmin: converged after 6 iterations.
iteration 46: trace = 4.373720871358169 (1.10347e-06% change)
linmin: converged after 7 iterations.
iteration 47: trace = 4.373720860408667 (2.50348e-07% change)
linmin: converged after 4 iterations.
iteration 48: trace = 4.373720857859263 (5.82891e-08% change)
linmin: converged after 13 iterations.
iteration 49: trace = 4.373720856571031 (2.94539e-08% change)
linmin: converged after 10 iterations.
iteration 50: trace = 4.37372085452145 (4.68613e-08% change)
linmin: converged after 3 iterations.
iteration 51: trace = 4.373720852664958 (4.24465e-08% change)
linmin: converged after 12 iterations.
iteration 52: trace = 4.373720851891077 (1.76939e-08% change)
linmin: converged after 4 iterations.
iteration 53: trace = 4.373720851693671 (4.51347e-09% change)
linmin: converged after 4 iterations.
iteration 54: trace = 4.373720851644961 (1.11369e-09% change)
linmin: converged after 4 iterations.
iteration 55: trace = 4.373720851632621 (2.82148e-10% change)
linmin: converged after 5 iterations.
iteration 56: trace = 4.373720851620797 (2.70329e-10% change)
linmin: converged after 18 iterations.
iteration 57: trace = 4.373720851605125 (3.5834e-10% change)
linmin: converged after 15 iterations.
iteration 58: trace = 4.373720851598586 (1.49501e-10% change)
linmin: converged after 4 iterations.
iteration 59: trace = 4.373720851594716 (8.84783e-11% change)
Finished solving for bands 2 to 8 after 59 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
.elapsed time for k point: 0.33121299743652344
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2809479535253731 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.41711424932466257 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370305 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4961974527654614 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.5520955864542515 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423507 at Vector3<0.5, 0.0, 0.0>
Band 5 range: 0.7413109657068669 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571237 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 0.8295176150251513 at Vector3<0.3, 0.3, 0.0> to 0.878315547346378 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 0.8625159053811298 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.8793510958294791 at Vector3<0.5, 0.5, 0.0> to 1.0825923841452936 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2809479535253731) to band 2 (0.41711424932466257), 39.01265395643889%
Gap from band 4 (0.7133951516423507) to band 5 (0.7413109657068669), 3.838000504924635%
total elapsed time for run: 2.2577426433563232
done
/tmp/meepNmMUdV/test_run_tm-0: 2.26s
/tmp/meepNmMUdV/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: 0.003815174102783203
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.317812442779541
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.983041524887085
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.21207904815673828
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.21391677856445312
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.2740206718444824
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.36249208450317383
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.2747359275817871
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.23066258430480957
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.19510316848754883
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.19672489166259766
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.21799445152282715
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.15027785301208496
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.17656397819519043
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.237532377243042
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.2803986072540283
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.5320980548858643
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 4.861855506896973
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: 0.003849029541015625
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.29343128204345703
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 0.9608862400054932
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.21217846870422363
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.1944584846496582
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.22603154182434082
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.5018579959869385
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.27268147468566895
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.22774744033813477
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.19571828842163086
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.19107913970947266
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.18797707557678223
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.14780402183532715
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.17058372497558594
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.23752951622009277
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.2786555290222168
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.5832257270812988
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 4.88822078704834
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: 0.003827810287475586
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.3084237575531006
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.7914106845855713
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.3923788070678711
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.3395047187805176
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.22811555862426758
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.48661088943481445
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.4352529048919678
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.458329439163208
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.22827649116516113
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.5039863586425781
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.24033355712890625
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.308835506439209
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.2792477607727051
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.39280152320861816
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.4319274425506592
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
.elapsed time for k point: 1.287567377090454
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 8.119327545166016
done
/tmp/meepNmMUdV/test_set_eigenvectors-0: 17.87s
/tmp/meepNmMUdV/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: 0.003924369812011719
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 16.67252686302908 (193.833% change)
linmin: converged after 9 iterations.
iteration 2: trace = 7.425605351690054 (76.7439% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.413529606638006 (14.6263% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.997870542994748 (6.69802% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.792242760915676 (3.48814% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.704204927742774 (1.53157% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.662063364719287 (0.74152% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.645383220801683 (0.295029% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.636808514863861 (0.152004% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.63238951095019 (0.0784262% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.630973803281851 (0.0251383% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.630304289828863 (0.0118905% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.629948267451508 (0.00632352% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.629707527279329 (0.00427616% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.629494146577414 (0.00379033% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.629334770611423 (0.00283113% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.629195179754779 (0.00247974% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.629089143345387 (0.0018837% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.629015210335247 (0.00131342% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.628955227212604 (0.00106561% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.628918234634898 (0.000657186% change)
linmin: converged after 13 iterations.
iteration 22: trace = 5.628892160266247 (0.000463223% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.628877918705998 (0.000253009% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.628870540675988 (0.000131075% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.628866521545568 (7.14021e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.628864944361773 (2.80196e-05% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.628864428335515 (9.1675e-06% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.628864254010919 (3.09698e-06% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.628864199205668 (9.73647e-07% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.628864180871601 (3.25715e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.628864174355644 (1.1576e-07% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.628864171803173 (4.53461e-08% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.628864170678025 (1.99889e-08% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.628864170196713 (8.55078e-09% change)
linmin: converged after 15 iterations.
iteration 35: trace = 5.628864169964596 (4.12368e-09% change)
linmin: converged after 12 iterations.
iteration 36: trace = 5.628864169778765 (3.30139e-09% change)
linmin: converged after 12 iterations.
iteration 37: trace = 5.628864169602526 (3.131e-09% change)
linmin: converged after 5 iterations.
iteration 38: trace = 5.628864169405927 (3.4927e-09% change)
linmin: converged after 9 iterations.
iteration 39: trace = 5.628864169253099 (2.71508e-09% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.628864169153879 (1.76269e-09% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.628864169097579 (1.00021e-09% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.628864169061671 (6.37913e-10% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.62886416903688 (4.40439e-10% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.628864169022885 (2.4863e-10% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.628864169016389 (1.15408e-10% change)
linmin: converged after 4 iterations.
iteration 46: trace = 5.62886416901306 (5.91397e-11% change)
Finished solving for bands 2 to 8 after 46 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859
elapsed time for k point: 0.33641695976257324
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.662598383808177 (0.236431% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.655498054238222 (0.125469% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.653351656916263 (0.0379596% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.652109656698282 (0.0219717% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.651455832958964 (0.0115685% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.650961670354684 (0.00874437% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.650673951221654 (0.00509164% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.650503338619168 (0.00301938% change)
linmin: converged after 6 iterations.
iteration 9: trace = 5.650430417719853 (0.00129053% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.650387262434869 (0.000763755% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.650369556591794 (0.000313357% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.650362805816114 (0.000119475% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.650360400670214 (4.25662e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.650359822551868 (1.02315e-05% change)
linmin: converged after 17 iterations.
iteration 15: trace = 5.650359570380632 (4.46292e-06% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.650359460721783 (1.94074e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.650359418358939 (7.49737e-07% change)
linmin: converged after 15 iterations.
iteration 18: trace = 5.650359402315163 (2.83943e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.650359397610368 (8.32654e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.650359395697522 (3.38535e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.650359394584378 (1.97004e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.650359393286108 (2.29768e-08% change)
linmin: converged after 11 iterations.
iteration 23: trace = 5.650359391538194 (3.09346e-08% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.65035938990169 (2.89628e-08% change)
linmin: converged after 15 iterations.
iteration 25: trace = 5.650359388475219 (2.52457e-08% change)
linmin: converged after 14 iterations.
iteration 26: trace = 5.650359386380272 (3.70764e-08% change)
large trace change predicted (9.57982e-08%)
linmin: converged after 6 iterations.
iteration 27: trace = 5.650359380967167 (9.58011e-08% change)
near maximum in trace
linmin: converged after 12 iterations.
iteration 28: trace = 5.65029130912194 (0.00120474% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.650291234061909 (1.32843e-06% change)
linmin: converged after 6 iterations.
iteration 30: trace = 5.650291159747921 (1.31522e-06% change)
linmin: converged after 7 iterations.
iteration 31: trace = 5.650291086201616 (1.30164e-06% change)
linmin: converged after 8 iterations.
iteration 32: trace = 5.650291013437279 (1.2878e-06% change)
linmin: converged after 6 iterations.
iteration 33: trace = 5.650290941462908 (1.27382e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.650290870281232 (1.25979e-06% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.650290799890623 (1.24579e-06% change)
linmin: converged after 6 iterations.
iteration 36: trace = 5.650290730285771 (1.23188e-06% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.650290661458452 (1.21812e-06% change)
linmin: converged after 7 iterations.
iteration 38: trace = 5.650290593398053 (1.20455e-06% change)
linmin: converged after 15 iterations.
iteration 39: trace = 5.650290526092048 (1.1912e-06% change)
linmin: converged after 5 iterations.
iteration 40: trace = 5.650290459526456 (1.17809e-06% change)
linmin: converged after 11 iterations.
iteration 41: trace = 5.650290393686173 (1.16525e-06% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.650290328555217 (1.1527e-06% change)
linmin: converged after 8 iterations.
iteration 43: trace = 5.650290264117083 (1.14044e-06% change)
linmin: converged after 8 iterations.
iteration 44: trace = 5.650290200354844 (1.12848e-06% change)
linmin: converged after 8 iterations.
iteration 45: trace = 5.650290137251378 (1.11682e-06% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.650290074789467 (1.10546e-06% change)
linmin: converged after 8 iterations.
iteration 47: trace = 5.650290012951959 (1.09441e-06% change)
linmin: converged after 5 iterations.
iteration 48: trace = 5.650289951721833 (1.08366e-06% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.650289891082261 (1.07321e-06% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.650289831016662 (1.06305e-06% change)
linmin: converged after 7 iterations.
iteration 51: trace = 5.650289771508803 (1.05318e-06% change)
linmin: converged after 6 iterations.
iteration 52: trace = 5.650289712542765 (1.04359e-06% change)
linmin: converged after 8 iterations.
iteration 53: trace = 5.650289654102977 (1.03428e-06% change)
linmin: converged after 17 iterations.
iteration 54: trace = 5.650289596174298 (1.02523e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.650289538735549 (1.01656e-06% change)
linmin: converged after 18 iterations.
iteration 56: trace = 5.65028948178523 (1.00792e-06% change)
linmin: converged after 9 iterations.
iteration 57: trace = 5.650289425290975 (9.99847e-07% change)
linmin: converged after 7 iterations.
iteration 58: trace = 5.650289369263237 (9.91591e-07% change)
linmin: converged after 13 iterations.
iteration 59: trace = 5.650289313676903 (9.83779e-07% change)
linmin: converged after 5 iterations.
iteration 60: trace = 5.650289258515707 (9.76254e-07% change)
linmin: converged after 7 iterations.
iteration 61: trace = 5.650289203774422 (9.68823e-07% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.65028914943757 (9.61665e-07% change)
linmin: converged after 10 iterations.
iteration 63: trace = 5.650289095493558 (9.54712e-07% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.650289041921457 (9.4813e-07% change)
linmin: converged after 5 iterations.
iteration 65: trace = 5.65028898872999 (9.41394e-07% change)
linmin: converged after 8 iterations.
iteration 66: trace = 5.650288935898927 (9.35015e-07% change)
linmin: converged after 13 iterations.
iteration 67: trace = 5.650288883409756 (9.28964e-07% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.650288831261826 (9.22925e-07% change)
linmin: converged after 8 iterations.
iteration 69: trace = 5.650288779444876 (9.17067e-07% change)
resetting CG direction...
large trace change predicted (0.0219494%)
linmin: converged after 4 iterations.
iteration 70: trace = 5.649030468293702 (0.0222723% change)
linmin: converged after 3 iterations.
iteration 71: trace = 5.64829136620188 (0.0130846% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.647952692809617 (0.00599621% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.647730066485801 (0.00394179% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.647486452368881 (0.00431358% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.647157647966095 (0.00582231% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.646836023572824 (0.00569549% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.646550485301955 (0.00505673% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.646220747932997 (0.0058398% change)
large trace change predicted (0.0119218%)
linmin: converged after 4 iterations.
iteration 79: trace = 5.645515259687648 (0.0124957% change)
large trace change predicted (0.0250157%)
linmin: converged after 4 iterations.
iteration 80: trace = 5.644058926472955 (0.0257996% change)
linmin: converged after 10 iterations.
iteration 81: trace = 5.642273446376459 (0.0316397% change)
linmin: converged after 5 iterations.
iteration 82: trace = 5.640698255256122 (0.0279216% change)
linmin: converged after 7 iterations.
iteration 83: trace = 5.639845149544605 (0.0151253% change)
linmin: converged after 4 iterations.
iteration 84: trace = 5.639288483577501 (0.00987072% change)
linmin: converged after 4 iterations.
iteration 85: trace = 5.638902685900879 (0.00684148% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.638726995261628 (0.00311574% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.638638885026625 (0.0015626% change)
linmin: converged after 5 iterations.
iteration 88: trace = 5.638595387765385 (0.000771417% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.63857049670874 (0.000441442% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.638555869927401 (0.000259406% change)
linmin: converged after 3 iterations.
iteration 91: trace = 5.638546196966949 (0.00017155% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.638539566898372 (0.000117585% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.63853584120281 (6.60756e-05% change)
linmin: converged after 3 iterations.
iteration 94: trace = 5.638534039131848 (3.19599e-05% change)
linmin: converged after 3 iterations.
iteration 95: trace = 5.638532923217655 (1.97909e-05% change)
linmin: converged after 3 iterations.
iteration 96: trace = 5.63853201375318 (1.61295e-05% change)
linmin: converged after 3 iterations.
iteration 97: trace = 5.638531074937021 (1.665e-05% change)
linmin: converged after 4 iterations.
iteration 98: trace = 5.638530027134964 (1.85829e-05% change)
linmin: converged after 4 iterations.
iteration 99: trace = 5.638528499055526 (2.71007e-05% change)
linmin: converged after 6 iterations.
iteration 100: trace = 5.638526250349737 (3.98811e-05% change)
linmin: converged after 4 iterations.
iteration 101: trace = 5.638523966989695 (4.04957e-05% change)
linmin: converged after 5 iterations.
iteration 102: trace = 5.6385216988416 (4.02259e-05% change)
linmin: converged after 5 iterations.
iteration 103: trace = 5.638518649900305 (5.40734e-05% change)
linmin: converged after 4 iterations.
iteration 104: trace = 5.63851666923112 (3.51275e-05% change)
linmin: converged after 3 iterations.
iteration 105: trace = 5.638515788362522 (1.56223e-05% change)
linmin: converged after 4 iterations.
iteration 106: trace = 5.638515475732303 (5.54455e-06% change)
linmin: converged after 2 iterations.
iteration 107: trace = 5.63851535359939 (2.16605e-06% change)
linmin: converged after 4 iterations.
iteration 108: trace = 5.638515290971848 (1.11071e-06% change)
linmin: converged after 6 iterations.
iteration 109: trace = 5.638515251423739 (7.01392e-07% change)
linmin: converged after 16 iterations.
iteration 110: trace = 5.638515230513041 (3.70855e-07% change)
linmin: converged after 2 iterations.
iteration 111: trace = 5.6385152189832 (2.04484e-07% change)
linmin: converged after 7 iterations.
iteration 112: trace = 5.63851521453465 (7.88958e-08% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.638515212759899 (3.14755e-08% change)
linmin: converged after 2 iterations.
iteration 114: trace = 5.638515211748622 (1.79352e-08% change)
linmin: converged after 2 iterations.
iteration 115: trace = 5.638515210948728 (1.41863e-08% change)
linmin: converged after 4 iterations.
iteration 116: trace = 5.638515210027005 (1.63469e-08% change)
linmin: converged after 4 iterations.
iteration 117: trace = 5.638515209014515 (1.79567e-08% change)
linmin: converged after 10 iterations.
iteration 118: trace = 5.638515207797895 (2.1577e-08% change)
linmin: converged after 4 iterations.
iteration 119: trace = 5.638515206519796 (2.26673e-08% change)
linmin: converged after 4 iterations.
iteration 120: trace = 5.63851520504288 (2.61934e-08% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.638515202936349 (3.73597e-08% change)
linmin: converged after 4 iterations.
iteration 122: trace = 5.638515200860235 (3.68202e-08% change)
linmin: converged after 6 iterations.
iteration 123: trace = 5.63851519909181 (3.13633e-08% change)
linmin: converged after 8 iterations.
iteration 124: trace = 5.638515198026758 (1.88889e-08% change)
linmin: converged after 4 iterations.
iteration 125: trace = 5.638515197269305 (1.34336e-08% change)
linmin: converged after 4 iterations.
iteration 126: trace = 5.638515196711155 (9.89888e-09% change)
linmin: converged after 5 iterations.
iteration 127: trace = 5.638515196251477 (8.15246e-09% change)
linmin: converged after 8 iterations.
iteration 128: trace = 5.638515195990945 (4.62058e-09% change)
linmin: converged after 8 iterations.
iteration 129: trace = 5.638515195870702 (2.13254e-09% change)
linmin: converged after 8 iterations.
iteration 130: trace = 5.638515195810788 (1.06258e-09% change)
linmin: converged after 3 iterations.
iteration 131: trace = 5.638515195782595 (5e-10% change)
linmin: converged after 18 iterations.
iteration 132: trace = 5.63851519576966 (2.29412e-10% change)
linmin: converged after 5 iterations.
iteration 133: trace = 5.638515195763932 (1.01585e-10% change)
linmin: converged after 4 iterations.
iteration 134: trace = 5.638515195759914 (7.1262e-11% change)
Finished solving for bands 1 to 8 after 134 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586
elapsed time for k point: 1.5678038597106934
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.610243836813777 (0.416683% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.599604920319447 (0.189814% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.596604913818451 (0.0535897% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.595662117723827 (0.0168473% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.595313265090452 (0.00623453% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.595227399874338 (0.0015346% change)
linmin: converged after 9 iterations.
iteration 7: trace = 5.595198313937154 (0.000519836% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.595186325956797 (0.000214255% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.595182011684432 (7.71069e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.595180202268759 (3.23388e-05% change)
linmin: converged after 9 iterations.
iteration 11: trace = 5.59517960404312 (1.06918e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.595179391571371 (3.79741e-06% change)
linmin: converged after 6 iterations.
iteration 13: trace = 5.595179311138063 (1.43755e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.595179285473622 (4.58688e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.595179276623069 (1.58182e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.595179273689018 (5.24389e-08% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.595179272904637 (1.40189e-08% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.595179272581779 (5.77029e-09% change)
linmin: converged after 11 iterations.
iteration 19: trace = 5.595179272336526 (4.3833e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.595179272188355 (2.64818e-09% change)
linmin: converged after 10 iterations.
iteration 21: trace = 5.595179272063362 (2.23395e-09% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.59517927196455 (1.76601e-09% change)
linmin: converged after 17 iterations.
iteration 23: trace = 5.595179271878046 (1.54605e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.595179271843302 (6.20959e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.595179271827009 (2.91208e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.595179271819181 (1.39898e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.59517927181656 (4.68442e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301
elapsed time for k point: 0.42028045654296875
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.589278769399094 (0.288852% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.582217264359311 (0.12642% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.579630100766153 (0.0463573% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.578713954554049 (0.0164208% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.578208746315722 (0.00905641% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.578027303291432 (0.00325276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.577942072907684 (0.00152798% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.577913363825518 (0.000514691% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.577905893250994 (0.000133931% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.577903978777094 (3.43225e-05% change)
linmin: converged after 12 iterations.
iteration 11: trace = 5.57790346238493 (9.25782e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.577903351821988 (1.98216e-06% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.577903319845028 (5.73279e-07% change)
linmin: converged after 26 iterations.
iteration 14: trace = 5.577903310566406 (1.66346e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.577903307418655 (5.64325e-08% change)
linmin: converged after 12 iterations.
iteration 16: trace = 5.57790330586165 (2.79138e-08% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.577903305185303 (1.21255e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.577903304857366 (5.87921e-09% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.577903304716055 (2.53341e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.577903304686389 (5.31849e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.577903304676372 (1.79581e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.577903304673051 (5.95367e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753
elapsed time for k point: 0.26560521125793457
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.607466984177758 (0.245114% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.600508098157666 (0.124177% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.597121607935736 (0.0604858% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.595549314419059 (0.0280951% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.594551452726608 (0.0178347% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.594215569329847 (0.00600394% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.59408706885172 (0.00229705% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.594049548640523 (0.000670714% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.594038609820709 (0.000195544% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.59403506708577 (6.33306e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.594033390558401 (2.99699e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.594032551741144 (1.49949e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.594031999184891 (9.8776e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.594031699982707 (5.3486e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.594031556072586 (2.57257e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.594031485788909 (1.2564e-06% change)
linmin: converged after 6 iterations.
iteration 17: trace = 5.594031455144973 (5.47797e-07% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.594031432706858 (4.01108e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.594031422730694 (1.78336e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.594031418912031 (6.82632e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.594031417677416 (2.20702e-08% change)
linmin: converged after 13 iterations.
iteration 22: trace = 5.594031417255708 (7.53853e-09% change)
linmin: converged after 23 iterations.
iteration 23: trace = 5.594031417032638 (3.98765e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.594031416919612 (2.02048e-09% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.59403141687714 (7.59234e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.594031416862822 (2.55957e-10% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.594031416858376 (7.94656e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003
elapsed time for k point: 0.24540019035339355
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.658952488023161 (0.227165% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.651172639067469 (0.137573% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.646977452943627 (0.0742632% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.644684383770227 (0.0406153% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.643239756073526 (0.025596% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.642724507559706 (0.00913078% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.642475213056389 (0.00441808% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.642293858954874 (0.00321414% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.642022882947096 (0.0048027% change)
large trace change predicted (0.0102229%)
linmin: converged after 3 iterations.
iteration 10: trace = 5.641446879081736 (0.0102097% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.640440099441649 (0.0178477% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.639322938644369 (0.0198082% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.638404375778243 (0.0162899% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.637799416718165 (0.0107298% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.637559421782468 (0.00425698% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.637473447569713 (0.00152504% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.637440210805507 (0.00058957% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.637423473771831 (0.000296891% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.637418827785591 (8.24133e-05% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.637417051137831 (3.15153e-05% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.637416175196376 (1.5538e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.63741573868567 (7.7431e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.63741548882805 (4.43213e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.63741535483237 (2.3769e-06% change)
linmin: converged after 21 iterations.
iteration 25: trace = 5.637415263728908 (1.61605e-06% change)
linmin: converged after 23 iterations.
iteration 26: trace = 5.637415208122752 (9.86377e-07% change)
linmin: converged after 21 iterations.
iteration 27: trace = 5.637415147804327 (1.06997e-06% change)
large trace change predicted (2.89726e-06%)
linmin: converged after 5 iterations.
iteration 28: trace = 5.637414984467265 (2.89738e-06% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.637414701465812 (5.02006e-06% change)
linmin: converged after 13 iterations.
iteration 30: trace = 5.637414479207225 (3.94256e-06% change)
linmin: converged after 5 iterations.
iteration 31: trace = 5.637414382458896 (1.71618e-06% change)
linmin: converged after 5 iterations.
iteration 32: trace = 5.637414352167748 (5.37323e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.637414342884079 (1.6468e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.637414340072562 (4.98725e-08% change)
linmin: converged after 12 iterations.
iteration 35: trace = 5.637414339312873 (1.34758e-08% change)
linmin: converged after 19 iterations.
iteration 36: trace = 5.637414338914756 (7.06205e-09% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.637414338639521 (4.88227e-09% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.637414338456356 (3.2491e-09% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.637414338381471 (1.32836e-09% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.637414338347076 (6.10115e-10% change)
linmin: converged after 7 iterations.
iteration 41: trace = 5.6374143383179 (5.17554e-10% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.637414338273249 (7.92039e-10% change)
linmin: converged after 13 iterations.
iteration 43: trace = 5.637414338211488 (1.09556e-09% change)
linmin: converged after 15 iterations.
iteration 44: trace = 5.637414338111083 (1.78105e-09% change)
linmin: converged after 18 iterations.
iteration 45: trace = 5.637414338017404 (1.66173e-09% change)
linmin: converged after 9 iterations.
iteration 46: trace = 5.637414337962041 (9.82061e-10% change)
linmin: converged after 6 iterations.
iteration 47: trace = 5.637414337944461 (3.11856e-10% change)
linmin: converged after 9 iterations.
iteration 48: trace = 5.637414337940067 (7.79403e-11% change)
Finished solving for bands 1 to 8 after 48 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742
elapsed time for k point: 0.3750946521759033
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.588459961209858 (1.62524% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.538961403003084 (0.889668% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.527070270341415 (0.214912% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.522342887656381 (0.085568% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.52039248359838 (0.0353247% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.519566528529984 (0.014963% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.519192001279448 (0.00678568% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.519052775913019 (0.0025226% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.518995901845697 (0.00103051% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.51896543492103 (0.000552039% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.518951031752473 (0.000260976% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.518944394189399 (0.000120269% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.518942193535173 (3.98746e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.518941629485345 (1.02203e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.518941443520309 (3.36958e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.51894139822527 (8.2072e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.51894138307171 (2.74574e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.518941376509183 (1.18909e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.518941374239345 (4.11281e-08% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.518941372978462 (2.28465e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.518941372520745 (8.29357e-09% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.51894137229888 (4.02005e-09% change)
linmin: converged after 7 iterations.
iteration 23: trace = 5.518941372163193 (2.45857e-09% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.518941372061857 (1.83616e-09% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.518941371930669 (2.37704e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.518941371759532 (3.1009e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.518941371614911 (2.62045e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.518941371516171 (1.78912e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.518941371440124 (1.37792e-09% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.518941371369822 (1.27383e-09% change)
linmin: converged after 3 iterations.
iteration 31: trace = 5.518941371330355 (7.15121e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.518941371316811 (2.45406e-10% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.518941371312554 (7.71351e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679
elapsed time for k point: 0.257460355758667
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.358965069228532 (0.494938% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.347410133100369 (0.215852% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.344694532958259 (0.0507964% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.343549261594959 (0.0214305% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.342917059986682 (0.0118318% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.342682889492332 (0.00438292% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.342576733772835 (0.00198696% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.342540203537944 (0.000683759% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.342529450593277 (0.00020127% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.342525583052343 (7.23916e-05% change)
linmin: converged after 11 iterations.
iteration 11: trace = 5.342524762095743 (1.53665e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.342524528418491 (4.37391e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.342524475923854 (9.82581e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.342524468019504 (1.47952e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.3425244664443 (2.94843e-08% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.34252446601954 (7.95054e-09% change)
linmin: converged after 18 iterations.
iteration 17: trace = 5.342524465855401 (3.07231e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.342524465750501 (1.96349e-09% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.342524465692874 (1.07866e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.342524465655599 (6.97705e-10% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.342524465621588 (6.36593e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.342524465595664 (4.85242e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.34252446557226 (4.38077e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.342524465547464 (4.64128e-10% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.342524465528069 (3.63033e-10% change)
linmin: converged after 15 iterations.
iteration 26: trace = 5.342524465517735 (1.93428e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.342524465514539 (5.98157e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367
elapsed time for k point: 0.2118232250213623
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.205843851366042 (0.260823% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.20125099997999 (0.0882639% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.200149842129169 (0.0211733% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.199802675803618 (0.00667631% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.199636452166114 (0.00319678% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.199588777495884 (0.000916889% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.199568860654868 (0.000383047% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.199559960602217 (0.000171169% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.199557315513362 (5.08714e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.199556443338559 (1.6774e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.199556282069324 (3.1016e-06% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.199556247771228 (6.59635e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.199556240158943 (1.46403e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.199556238716338 (2.77448e-08% change)
linmin: converged after 25 iterations.
iteration 15: trace = 5.199556238427378 (5.5574e-09% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.199556238339892 (1.68256e-09% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.199556238303388 (7.02062e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.19955623826938 (6.54063e-10% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.199556238207707 (1.18611e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.199556238136203 (1.37521e-09% change)
linmin: converged after 12 iterations.
iteration 21: trace = 5.199556238088184 (9.23511e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.19955623807294 (2.93175e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.199556238067974 (9.55215e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636
elapsed time for k point: 0.25922679901123047
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.113888636562061 (0.193819% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.111058653694802 (0.0553545% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.110360041818844 (0.0136696% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.110178387935807 (0.00355468% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.110110328941206 (0.00133184% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.110094373675727 (0.00031223% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.110090048386214 (8.46421e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.110087943959178 (4.11818e-05% change)
linmin: converged after 7 iterations.
iteration 9: trace = 5.110087209667765 (1.43694e-05% change)
linmin: converged after 19 iterations.
iteration 10: trace = 5.110086882135972 (6.40951e-06% change)
linmin: converged after 29 iterations.
iteration 11: trace = 5.11008680116278 (1.58458e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.110086778559413 (4.42328e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.11008677237288 (1.21065e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.110086770914108 (2.85469e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.110086770602328 (6.10128e-09% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.110086770517023 (1.66933e-09% change)
linmin: converged after 13 iterations.
iteration 17: trace = 5.110086770480931 (7.0629e-10% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.110086770438304 (8.34178e-10% change)
large trace change predicted (2.1347e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.110086770329216 (2.13476e-09% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.110086770238313 (1.7789e-09% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.110086770200718 (7.35698e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.110086770192776 (1.5542e-10% change)
linmin: converged after 7 iterations.
iteration 23: trace = 5.11008677019096 (3.55439e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762
elapsed time for k point: 0.18212485313415527
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.082968734459396 (0.170848% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.080632009847005 (0.0459822% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.080034162832763 (0.0117679% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.079889067208724 (0.00285623% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.079840786284587 (0.000950437% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.079830362273342 (0.000205204% change)
linmin: converged after 2 iterations.
iteration 7: trace = 5.07982854705658 (3.57338e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.079827969475216 (1.13701e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 5.079827856733472 (2.2194e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.079827805883465 (1.00102e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 5.079827785437724 (4.02489e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.0798277757082 (1.91533e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.079827771842991 (7.60894e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.079827770756296 (2.13924e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.079827770533072 (4.39432e-09% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.079827770466221 (1.316e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.079827770421267 (8.84956e-10% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.079827770346472 (1.4724e-09% change)
large trace change predicted (3.34424e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 5.079827770176591 (3.34423e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.079827770098357 (1.54008e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.079827770077139 (4.17703e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.079827770073009 (8.13026e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801
elapsed time for k point: 0.3218264579772949
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.14643038681267 (0.331875% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.14163854363819 (0.0931534% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.140336824320569 (0.0253204% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.139958644400246 (0.00735737% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.139823079442865 (0.00263751% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.13979253351684 (0.000594301% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.13978717670438 (0.000104222% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.13978547394731 (3.31289e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.13978511446722 (6.99407e-06% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.139784968056223 (2.84858e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.139784924164504 (8.5396e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.139784914516125 (1.8772e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.139784912150685 (4.60221e-08% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.139784911632526 (1.00814e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.139784911523812 (2.11515e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.1397849114978 (5.06076e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.139784911491648 (1.19702e-10% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.139784911490274 (2.67329e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708
elapsed time for k point: 0.26329493522644043
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.321113856601055 (0.391941% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.312735434600713 (0.15758% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.309860483632051 (0.054129% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.30865460253843 (0.0227128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.308110104171019 (0.0102573% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.307980354200678 (0.0024444% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.30794615774419 (0.000644248% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.307931944059677 (0.000267782% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.307927410039053 (8.54198e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.307925220166293 (4.12567e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 5.307924508322333 (1.3411e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.307924276765975 (4.36247e-06% change)
linmin: converged after 17 iterations.
iteration 13: trace = 5.307924196866908 (1.50528e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.307924180430648 (3.09655e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.307924176022233 (8.30535e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.307924174763155 (2.37207e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.307924174428115 (6.31206e-09% change)
linmin: converged after 17 iterations.
iteration 18: trace = 5.307924174351109 (1.45079e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.307924174333355 (3.34477e-10% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.307924174329596 (7.08143e-11% change)
Finished solving for bands 1 to 8 after 20 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198
elapsed time for k point: 0.15856599807739258
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.565278284532699 (0.649197% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.539308670154723 (0.467728% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.527740928005754 (0.209048% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.521192314611162 (0.118538% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.517705504983861 (0.0631731% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.516689861468542 (0.0184087% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.516225756129566 (0.0084131% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.515968278409325 (0.00466775% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.515821918920189 (0.00265341% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.515731715125205 (0.00163538% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.515703319343585 (0.000514816% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.515694777907219 (0.000154857% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.515691983062538 (5.06708e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 5.515691259672616 (1.31151e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.515690942868783 (5.74368e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.51569084558965 (1.76368e-06% change)
linmin: converged after 18 iterations.
iteration 17: trace = 5.515690808935375 (6.64545e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.515690790954505 (3.25995e-07% change)
linmin: converged after 14 iterations.
iteration 19: trace = 5.515690782728353 (1.49141e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.5156907795232 (5.81097e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.51569077844038 (1.96316e-08% change)
linmin: converged after 12 iterations.
iteration 22: trace = 5.515690778101872 (6.13718e-09% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.515690777997051 (1.90042e-09% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.51569077796538 (5.74192e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.515690777958355 (1.27373e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 5.515690777956149 (3.99993e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099
elapsed time for k point: 0.2847280502319336
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.699370390339643 (1.24468% change)
linmin: converged after 6 iterations.
iteration 2: trace = 5.6476272710025 (0.912014% change)
linmin: converged after 9 iterations.
iteration 3: trace = 5.632522083730581 (0.267819% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.625529518819342 (0.124223% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.6225730091186 (0.052569% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.621751214744119 (0.0146171% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.621415490822013 (0.00597205% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.621208187044374 (0.00368782% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.621026602503575 (0.0032304% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.620814125076359 (0.00378012% change)
linmin: converged after 7 iterations.
iteration 11: trace = 5.62062988743376 (0.00327783% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.620459427819393 (0.0030328% change)
linmin: converged after 7 iterations.
iteration 13: trace = 5.62036787458806 (0.00162894% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.620331402055506 (0.000648937% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.620316079253239 (0.000272632% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.620311039976532 (8.96618e-05% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.620309265164774 (3.15785e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.620308520931707 (1.32419e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.620308198035178 (5.74517e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.620308061374191 (2.43156e-06% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.620308008166372 (9.46706e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.620307991490641 (2.96705e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.620307984134485 (1.30885e-07% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.620307981733875 (4.27131e-08% change)
linmin: converged after 14 iterations.
iteration 25: trace = 5.620307979992731 (3.09795e-08% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.620307977675642 (4.12271e-08% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.620307974743189 (5.2176e-08% change)
linmin: converged after 25 iterations.
iteration 28: trace = 5.620307972553177 (3.8966e-08% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.620307971583566 (1.72519e-08% change)
linmin: converged after 13 iterations.
iteration 30: trace = 5.620307971162816 (7.48624e-09% change)
linmin: converged after 14 iterations.
iteration 31: trace = 5.620307970956896 (3.66387e-09% change)
linmin: converged after 8 iterations.
iteration 32: trace = 5.620307970850901 (1.88592e-09% change)
linmin: converged after 7 iterations.
iteration 33: trace = 5.620307970806843 (7.83909e-10% change)
linmin: converged after 5 iterations.
iteration 34: trace = 5.620307970792958 (2.47064e-10% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.620307970788173 (8.51309e-11% change)
Finished solving for bands 1 to 8 after 35 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332
elapsed time for k point: 0.5573029518127441
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.721397683447139 (0.88116% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.69013217511223 (0.547963% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.679949561610348 (0.179112% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.674005700192534 (0.104701% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.670491569915775 (0.061953% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.66898719926361 (0.0265333% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.668194726510974 (0.0139801% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.667868425642517 (0.00575686% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.667594186201759 (0.00483861% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.667311953699151 (0.00497988% change)
large trace change predicted (0.0130659%)
linmin: converged after 4 iterations.
iteration 11: trace = 5.666577477910797 (0.0129607% change)
large trace change predicted (0.253568%)
linmin: converged after 10 iterations.
iteration 12: trace = 5.662184718159335 (0.0775506% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.659157953640502 (0.0534701% change)
linmin: converged after 6 iterations.
iteration 14: trace = 5.656543771246547 (0.0462045% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.653314443450369 (0.0571064% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.648626313452138 (0.0829615% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.64382136340905 (0.0851002% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.638869397659225 (0.0877799% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.635889317550872 (0.0528629% change)
linmin: converged after 7 iterations.
iteration 20: trace = 5.633934894998956 (0.0346842% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.632971468096913 (0.0171019% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.632161076526172 (0.0143876% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.631516240217539 (0.0114498% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.630961940343088 (0.0098433% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.630499098063129 (0.00821993% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.63012261962082 (0.00668664% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.629867621853739 (0.00452927% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.629720051219762 (0.00262124% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.629605777063893 (0.00202986% change)
linmin: converged after 3 iterations.
iteration 30: trace = 5.629504361182908 (0.00180149% change)
linmin: converged after 3 iterations.
iteration 31: trace = 5.629394147465852 (0.00195781% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.629290226406036 (0.00184606% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.629198024992228 (0.0016379% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.629133733964292 (0.00114211% change)
linmin: converged after 3 iterations.
iteration 35: trace = 5.629086222971256 (0.000844023% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.629045867570204 (0.000716911% change)
linmin: converged after 3 iterations.
iteration 37: trace = 5.629010408060275 (0.00062994% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.62897900457247 (0.000557888% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.62895246854367 (0.000471419% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.628932212763319 (0.000359851% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.628917703762922 (0.000257758% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.628904770133662 (0.000229771% change)
linmin: converged after 4 iterations.
iteration 43: trace = 5.628894295239233 (0.000186091% change)
linmin: converged after 4 iterations.
iteration 44: trace = 5.628885548977002 (0.000155382% change)
linmin: converged after 4 iterations.
iteration 45: trace = 5.628880125204436 (9.63561e-05% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.628876480396275 (6.47519e-05% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.628873855273834 (4.66367e-05% change)
linmin: converged after 5 iterations.
iteration 48: trace = 5.628871914588441 (3.44773e-05% change)
linmin: converged after 5 iterations.
iteration 49: trace = 5.62887017345587 (3.09322e-05% change)
linmin: converged after 6 iterations.
iteration 50: trace = 5.628868872043183 (2.31203e-05% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.628867792579709 (1.91773e-05% change)
linmin: converged after 4 iterations.
iteration 52: trace = 5.628867067350911 (1.28841e-05% change)
linmin: converged after 6 iterations.
iteration 53: trace = 5.628866472395092 (1.05697e-05% change)
linmin: converged after 5 iterations.
iteration 54: trace = 5.628866038918492 (7.70096e-06% change)
linmin: converged after 5 iterations.
iteration 55: trace = 5.628865733610263 (5.42397e-06% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.628865472822635 (4.63304e-06% change)
linmin: converged after 2 iterations.
iteration 57: trace = 5.628865257040933 (3.83348e-06% change)
linmin: converged after 2 iterations.
iteration 58: trace = 5.628865067339544 (3.37015e-06% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.628864923855851 (2.54907e-06% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.628864787380481 (2.42456e-06% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.628864676735699 (1.96567e-06% change)
linmin: converged after 7 iterations.
iteration 62: trace = 5.628864577622471 (1.7608e-06% change)
linmin: converged after 2 iterations.
iteration 63: trace = 5.628864491673314 (1.52694e-06% change)
linmin: converged after 2 iterations.
iteration 64: trace = 5.628864423558427 (1.2101e-06% change)
linmin: converged after 2 iterations.
iteration 65: trace = 5.628864369039819 (9.68554e-07% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.628864328352566 (7.22832e-07% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.628864294905815 (5.94201e-07% change)
linmin: converged after 2 iterations.
iteration 68: trace = 5.628864268956475 (4.61005e-07% change)
linmin: converged after 2 iterations.
iteration 69: trace = 5.628864245242415 (4.21294e-07% change)
resetting CG direction...
linmin: converged after 7 iterations.
iteration 70: trace = 5.628864210815122 (6.11621e-07% change)
linmin: converged after 2 iterations.
iteration 71: trace = 5.628864185803895 (4.44339e-07% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.628864176497 (1.65342e-07% change)
linmin: converged after 3 iterations.
iteration 73: trace = 5.628864172329766 (7.40333e-08% change)
linmin: converged after 13 iterations.
iteration 74: trace = 5.628864170611541 (3.05252e-08% change)
linmin: converged after 2 iterations.
iteration 75: trace = 5.628864170125547 (8.63397e-09% change)
linmin: converged after 2 iterations.
iteration 76: trace = 5.628864169899412 (4.01741e-09% change)
linmin: converged after 10 iterations.
iteration 77: trace = 5.628864169746183 (2.72219e-09% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.62886416956559 (3.20834e-09% change)
linmin: converged after 2 iterations.
iteration 79: trace = 5.628864169372521 (3.42999e-09% change)
linmin: converged after 12 iterations.
iteration 80: trace = 5.628864169215215 (2.79462e-09% change)
linmin: converged after 7 iterations.
iteration 81: trace = 5.628864169115518 (1.77118e-09% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.628864169056966 (1.04021e-09% change)
linmin: converged after 5 iterations.
iteration 83: trace = 5.628864169025804 (5.53606e-10% change)
linmin: converged after 4 iterations.
iteration 84: trace = 5.628864169015136 (1.89522e-10% change)
linmin: converged after 6 iterations.
iteration 85: trace = 5.628864169011921 (5.712e-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: 0.6050052642822266
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219023 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.44462291347067406 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519601 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5943566394470328 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911954 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6793887413076377 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8304573822339196 at Vector3<0.3, 0.3, 0.0> to 0.9243716830585584 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8957817684117535 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200427 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.89578687453308 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221042 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.0974168095854093 at Vector3<0.5, 0.0, 0.0> to 1.1280127648119935 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5943440245519601) to band 3 (0.5943566394470328), 0.0021224679105015963%
Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339196), 1.586071064729319%
Gap from band 7 (1.0958021492221042) to band 8 (1.0974168095854093), 0.1472411458802152%
total elapsed time for run: 6.31885552406311
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: 0.003976106643676758
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 11 iterations.
iteration 1: trace = 13.65344660078474 (194.937% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.60953779090269 (83.5167% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.870968737369743 (14.0941% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.592889108403813 (5.87667% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.517375695716676 (1.65777% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.501941736249221 (0.342242% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.497232324294311 (0.104663% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.494705098196533 (0.0562109% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.493491980362643 (0.0269936% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.491945491445939 (0.0344221% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.488917948171114 (0.0674221% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.485988456176239 (0.0652818% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.484190937558819 (0.0400777% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.4838691348752 (0.00717664% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.483819386025639 (0.00110951% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.483805975020276 (0.000299098% change)
linmin: converged after 5 iterations.
iteration 17: trace = 4.483801141715889 (0.000107795% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.483800147423097 (2.21752e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.483799826914428 (7.14815e-06% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.483799489838405 (7.51764e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 4.483798967852839 (1.16416e-05% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.483798525221835 (9.87179e-06% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.483798337447185 (4.18785e-06% change)
linmin: converged after 9 iterations.
iteration 24: trace = 4.483798287889884 (1.10525e-06% change)
linmin: converged after 6 iterations.
iteration 25: trace = 4.48379827771194 (2.26994e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.48379827562259 (4.65978e-08% change)
linmin: converged after 6 iterations.
iteration 27: trace = 4.483798275082743 (1.204e-08% change)
linmin: converged after 19 iterations.
iteration 28: trace = 4.483798274908857 (3.87809e-09% change)
linmin: converged after 15 iterations.
iteration 29: trace = 4.48379827485738 (1.14807e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.4837982748355 (4.87965e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.48379827479505 (9.02144e-10% change)
linmin: converged after 18 iterations.
iteration 32: trace = 4.483798274730371 (1.4425e-09% change)
linmin: converged after 11 iterations.
iteration 33: trace = 4.483798274703624 (5.96517e-10% change)
linmin: converged after 4 iterations.
iteration 34: trace = 4.483798274697118 (1.45118e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 4.483798274693346 (8.41272e-11% change)
Finished solving for bands 2 to 8 after 35 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938
elapsed time for k point: 0.19585299491882324
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.47117509364793 (1.08128% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.43252398877573 (0.868203% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.41341631617131 (0.43201% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.404296019506292 (0.206863% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.401461350058125 (0.0643822% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.399788733735445 (0.0380086% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.398929457686353 (0.0195318% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.398458753674171 (0.010701% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.398236171484599 (0.00506059% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.398175740998275 (0.00137398% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.398161708582743 (0.000319051% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.398157649223626 (9.22968e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.398156557280718 (2.48273e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.398156022880025 (1.21506e-05% change)
linmin: converged after 27 iterations.
iteration 15: trace = 4.39815575235615 (6.15085e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.3981556224991 (2.95253e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.398155576368086 (1.04887e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.398155552776388 (5.364e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.398155541734105 (2.51066e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.398155536009754 (1.30153e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.398155534105948 (4.32865e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.398155533748289 (8.13202e-09% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.398155533692952 (1.25819e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 4.398155533670936 (5.00577e-10% change)
linmin: converged after 5 iterations.
iteration 25: trace = 4.398155533656851 (3.20242e-10% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.398155533649992 (1.55961e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 4.398155533647458 (5.76144e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688
elapsed time for k point: 0.21464800834655762
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.319158064838449 (0.507573% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.315195172037746 (0.0917936% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.314652488862876 (0.0125769% change)
linmin: converged after 7 iterations.
iteration 4: trace = 4.314511296930485 (0.00327244% change)
linmin: converged after 16 iterations.
iteration 5: trace = 4.314475376819534 (0.000832545% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.314467154448445 (0.000190577% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.314465990301329 (2.69824e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.314465863908676 (2.92951e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.314465856457113 (1.72711e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.314465855768227 (1.59669e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.314465855720843 (1.09827e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.314465855716319 (1.04845e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.314465855715582 (1.70864e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882
elapsed time for k point: 0.10542678833007812
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.259813230869065 (0.437307% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.256808525762704 (0.070561% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.256424318461066 (0.00902612% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.256370493922878 (0.00126456% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.256364774302128 (0.000134378% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.256364062218786 (1.67298e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.256363946820414 (2.7112e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.256363898709568 (1.13033e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.256363889801437 (2.0929e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.256363888602304 (2.81727e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.256363888506426 (2.25258e-09% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.256363888498843 (1.78163e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.256363888498331 (1.20194e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589
elapsed time for k point: 0.10735797882080078
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.230445167891605 (0.428208% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.226884659314515 (0.0841994% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.226277772317789 (0.0143588% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.22614266922581 (0.00319679% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.226108930204369 (0.000798344% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.226098815419119 (0.000239341% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.226095681906933 (7.41467e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.226095353849789 (7.76265e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.226095326529167 (6.46474e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.226095324571846 (4.63151e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.226095324437821 (3.17137e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.226095324430022 (1.84525e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.22609532442957 (1.06974e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874
elapsed time for k point: 0.10914444923400879
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.224590436597712 (0.46166% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.219402634957929 (0.122876% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.21830332395176 (0.0260571% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.217912996839663 (0.00925361% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.2178069626567 (0.00251393% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.217779234764839 (0.000657403% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.217772706280913 (0.000154785% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.217772221251995 (1.14996e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.217772182111434 (9.27991e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.217772179564775 (6.03792e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.217772179377837 (4.43214e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.217772179362665 (3.59713e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.217772179355189 (1.77266e-10% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.217772179352384 (6.65012e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408
elapsed time for k point: 0.11279845237731934
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.216167442451161 (0.906425% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.207075518579899 (0.215877% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.205560118729061 (0.0360268% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.205437925259354 (0.00290556% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.205424978514315 (0.000307858% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.205423872193341 (2.6307e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.205423830220989 (9.98053e-07% change)
linmin: converged after 13 iterations.
iteration 8: trace = 4.205423828175204 (4.86463e-08% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.205423828042198 (3.16272e-09% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.205423828029007 (3.13672e-10% change)
linmin: converged after 7 iterations.
iteration 11: trace = 4.205423828027401 (3.81847e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917
elapsed time for k point: 0.09374570846557617
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.188511643576803 (0.767217% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.183271740703085 (0.12518% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.182635593295249 (0.0152081% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.182595255887838 (0.000964406% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.182592616911323 (6.30943e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.182592321790138 (7.05594e-06% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.182592286855638 (8.35236e-07% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.182592281925405 (1.17875e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.182592281109061 (1.95177e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.18259228103248 (1.83096e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.18259228102394 (2.04176e-10% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.182592281022643 (3.10033e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092
elapsed time for k point: 0.10083842277526855
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.172248021921933 (0.635399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.168646425845193 (0.0863599% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.167978693502352 (0.0160192% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.1678332981875 (0.00348845% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.167813086647445 (0.000484942% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.167811349625675 (4.16771e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.167811247608129 (2.44775e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.167811240546715 (1.69427e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.167811239437253 (2.66198e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.167811239290019 (3.53263e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.167811239280089 (2.38251e-10% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.167811239279436 (1.56845e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108
elapsed time for k point: 0.09936046600341797
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.175020794659227 (0.559983% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.171453968416325 (0.085469% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.169838633398399 (0.038731% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.169126573577485 (0.0170779% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.169030186733771 (0.00231195% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.169023804109909 (0.000153096% change)
linmin: converged after 15 iterations.
iteration 7: trace = 4.169023362478118 (1.05932e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.169023324272603 (9.16414e-07% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.169023320812371 (8.29986e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.169023319376691 (3.44368e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.169023318807238 (1.36592e-08% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.16902331868502 (2.93157e-09% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.16902331866883 (3.88334e-10% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.169023318668046 (1.88116e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581
elapsed time for k point: 0.11384057998657227
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.196748230138833 (0.499327% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.191391085977992 (0.127731% change)
linmin: converged after 8 iterations.
iteration 3: trace = 4.184065231776855 (0.174936% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.179418151111325 (0.111128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.17870816212099 (0.0169892% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.178675276778256 (0.000786977% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.178673354488494 (4.60024e-05% change)
linmin: converged after 28 iterations.
iteration 8: trace = 4.178673127808474 (5.42469e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.178673067930172 (1.43295e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.178672983680718 (2.01618e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.178672966328761 (4.1525e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.178672965170062 (2.77289e-08% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.178672965096562 (1.75892e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.178672965089345 (1.72718e-10% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.178672965088609 (1.76204e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993
elapsed time for k point: 0.12486720085144043
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.215590649381948 (1.05654% change)
linmin: converged after 9 iterations.
iteration 2: trace = 4.183207288836179 (0.771143% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.15660786144675 (0.63789% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.145125802194274 (0.276618% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.14166134336903 (0.083614% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.141092875801526 (0.0137265% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.141018445195259 (0.00179738% change)
linmin: converged after 6 iterations.
iteration 8: trace = 4.141013513514483 (0.000119093% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.14101295478792 (1.34925e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.141012717733243 (5.72456e-06% change)
linmin: converged after 21 iterations.
iteration 11: trace = 4.141012607970377 (2.65063e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.141012579996683 (6.75528e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.141012578178471 (4.39074e-08% change)
linmin: converged after 14 iterations.
iteration 14: trace = 4.141012578052829 (3.0341e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.141012578041205 (2.80694e-10% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.141012578036994 (1.01687e-10% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.141012578035558 (3.4682e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347
elapsed time for k point: 0.13910436630249023
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.14756404349616 (0.875199% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.142071403505422 (0.132518% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.141407784545649 (0.0160227% change)
linmin: converged after 11 iterations.
iteration 4: trace = 4.141348425305289 (0.00143332% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.141332888571218 (0.000375162% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.141330631750844 (5.4495e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.141330428051612 (4.91869e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.141330407855832 (4.87664e-07% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.141330405897512 (4.72872e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.1413304057217 (4.24531e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.141330405701248 (4.93853e-10% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.141330405700032 (2.93605e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595
elapsed time for k point: 0.0997779369354248
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.21918399878927 (0.838948% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.214112239631161 (0.120279% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.213587255840629 (0.0124585% change)
linmin: converged after 9 iterations.
iteration 4: trace = 4.213533983072801 (0.00126432% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.213522375060024 (0.000275494% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.213521453044295 (2.18823e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.21352138376677 (1.64417e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.213521376642286 (1.69086e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.21352137603991 (1.42963e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.213521375952432 (2.07614e-09% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.213521375942172 (2.43507e-10% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.213521375941403 (1.82335e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925
elapsed time for k point: 0.09792709350585938
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.354935285252167 (0.903179% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.347005534771339 (0.182252% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.345758802079406 (0.0286844% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.345492824185593 (0.00612059% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.345439182323273 (0.00123443% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.345428859007479 (0.000237567% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.345426500208688 (5.42823e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.345426131439355 (8.48638e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.345426090356744 (9.45422e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.345426086357085 (9.2043e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.34542608605445 (6.96443e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.345426086022096 (7.44566e-10% change)
linmin: converged after 7 iterations.
iteration 13: trace = 4.345426086018987 (7.15379e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526
elapsed time for k point: 0.10567522048950195
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.518149969222236 (1.13355% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.499734133170424 (0.408429% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.495250492449696 (0.099692% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.493713193153532 (0.0342041% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.492592218712891 (0.0249485% change)
large trace change predicted (0.050791%)
linmin: converged after 4 iterations.
iteration 6: trace = 4.490355890858126 (0.0497905% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.487337847436565 (0.0672343% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.485431457992154 (0.0424928% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.484262744539728 (0.0260592% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.48388337091092 (0.00846047% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.483810183156653 (0.00163225% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.483801839966898 (0.000186074% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.483800541625654 (2.89563e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.48380018565615 (7.93901e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.483799885096504 (6.70323e-06% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.483799578938857 (6.82808e-06% change)
linmin: converged after 14 iterations.
iteration 17: trace = 4.483799309165798 (6.01662e-06% change)
linmin: converged after 5 iterations.
iteration 18: trace = 4.483798916289091 (8.76214e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.483798783128212 (2.96982e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.483798762624275 (4.57289e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.483798756127854 (1.44887e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.483798754611406 (3.38206e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.483798754481999 (2.88612e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.483798754451544 (6.79218e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.483798754422126 (6.56101e-10% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.483798754387683 (7.68158e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 4.483798754356928 (6.85913e-10% change)
linmin: converged after 5 iterations.
iteration 28: trace = 4.483798754303916 (1.1823e-09% change)
linmin: converged after 6 iterations.
iteration 29: trace = 4.483798754278567 (5.65358e-10% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.483798754271721 (1.52685e-10% change)
linmin: converged after 6 iterations.
iteration 31: trace = 4.483798754265765 (1.32837e-10% change)
large trace change predicted (4.81956e-10%)
linmin: converged after 4 iterations.
iteration 32: trace = 4.483798754244154 (4.81983e-10% change)
large trace change predicted (2.68933e-09%)
linmin: converged after 2 iterations.
iteration 33: trace = 4.483798754123574 (2.68922e-09% change)
large trace change predicted (9.03484e-09%)
linmin: converged after 4 iterations.
iteration 34: trace = 4.483798753718466 (9.03495e-09% change)
large trace change predicted (3.80028e-08%)
linmin: converged after 7 iterations.
iteration 35: trace = 4.483798752014515 (3.80024e-08% change)
large trace change predicted (1.44438e-07%)
linmin: converged after 5 iterations.
iteration 36: trace = 4.483798745538726 (1.44426e-07% change)
large trace change predicted (4.6333e-07%)
linmin: converged after 5 iterations.
iteration 37: trace = 4.483798724778243 (4.63011e-07% change)
linmin: converged after 5 iterations.
iteration 38: trace = 4.483798696726634 (6.25622e-07% change)
linmin: converged after 6 iterations.
iteration 39: trace = 4.483798668084273 (6.38797e-07% change)
linmin: converged after 8 iterations.
iteration 40: trace = 4.483798643147862 (5.56145e-07% change)
linmin: converged after 10 iterations.
iteration 41: trace = 4.483798621877794 (4.74376e-07% change)
large trace change predicted (1.35926e-06%)
linmin: converged after 6 iterations.
iteration 42: trace = 4.483798561199338 (1.35328e-06% change)
large trace change predicted (5.83358e-06%)
linmin: converged after 7 iterations.
iteration 43: trace = 4.483798313962898 (5.514e-06% change)
linmin: converged after 8 iterations.
iteration 44: trace = 4.483798101265787 (4.74368e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 4.483798058281279 (9.58663e-07% change)
linmin: converged after 15 iterations.
iteration 46: trace = 4.483798047910916 (2.31285e-07% change)
linmin: converged after 5 iterations.
iteration 47: trace = 4.483798039714686 (1.82797e-07% change)
linmin: converged after 10 iterations.
iteration 48: trace = 4.483798036699413 (6.72482e-08% change)
linmin: converged after 4 iterations.
iteration 49: trace = 4.483798033244149 (7.70611e-08% change)
linmin: converged after 5 iterations.
iteration 50: trace = 4.483798027631968 (1.25166e-07% change)
linmin: converged after 4 iterations.
iteration 51: trace = 4.48379802531334 (5.17112e-08% change)
linmin: converged after 20 iterations.
iteration 52: trace = 4.483798024489694 (1.83694e-08% change)
linmin: converged after 4 iterations.
iteration 53: trace = 4.483798024240027 (5.5682e-09% change)
linmin: converged after 6 iterations.
iteration 54: trace = 4.483798024202096 (8.45947e-10% change)
linmin: converged after 12 iterations.
iteration 55: trace = 4.4837980241927 (2.09555e-10% change)
linmin: converged after 19 iterations.
iteration 56: trace = 4.483798024185351 (1.63916e-10% change)
large trace change predicted (3.44422e-10%)
linmin: converged after 3 iterations.
iteration 57: trace = 4.483798024169907 (3.44432e-10% change)
linmin: converged after 2 iterations.
iteration 58: trace = 4.483798024159173 (2.39407e-10% change)
linmin: converged after 6 iterations.
iteration 59: trace = 4.4837980241564 (6.18425e-11% change)
Finished solving for bands 2 to 8 after 59 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938
.elapsed time for k point: 0.3261265754699707
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965465 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.42065733839975067 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831275 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.502983097836598 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128122 at Vector3<0.5, 0.0, 0.0>
Band 4 range: 0.5613397939889757 at Vector3<0.0, 0.0, 0.0> to 0.720091820456399 at Vector3<0.5, 0.0, 0.0>
Band 5 range: 0.7472029910480827 at Vector3<0.5, 0.0, 0.0> to 0.8743593805005068 at Vector3<0.5, 0.5, 0.0>
Band 6 range: 0.8404509697526799 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822734 at Vector3<0.5, 0.5, 0.0>
Band 7 range: 0.8770118718330749 at Vector3<0.5, 0.0, 0.0> to 0.9653253808981636 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.8929933495598105 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093328 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.28590577911965465) to band 2 (0.42065733839975067), 38.1428228954776%
Gap from band 4 (0.720091820456399) to band 5 (0.7472029910480827), 3.695395142014508%
total elapsed time for run: 2.1528193950653076
done
/tmp/meepNmMUdV/test_sq_rods-0: 8.47s
/tmp/meepNmMUdV/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: 0.011162281036376953
solve_kpoint (0.1,0,0):
freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4
Solving for bands 1 to 4...
near maximum in trace
linmin: converged after 15 iterations.
iteration 1: trace = 0.9888324390217933 (199.208% change)
linmin: converged after 8 iterations.
iteration 2: trace = 0.3275386403031214 (100.472% change)
linmin: converged after 6 iterations.
iteration 3: trace = 0.2964736897934786 (9.95652% change)
linmin: converged after 6 iterations.
iteration 4: trace = 0.2766924976907767 (6.90243% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.2726168891851904 (1.4839% change)
linmin: converged after 5 iterations.
iteration 6: trace = 0.2709568969210206 (0.61077% change)
linmin: converged after 5 iterations.
iteration 7: trace = 0.2704215716452751 (0.197764% change)
linmin: converged after 5 iterations.
iteration 8: trace = 0.2698420362472876 (0.214538% change)
linmin: converged after 5 iterations.
iteration 9: trace = 0.2692566677135484 (0.217166% change)
linmin: converged after 5 iterations.
iteration 10: trace = 0.2688723160972941 (0.142847% change)
linmin: converged after 5 iterations.
iteration 11: trace = 0.2687479778755898 (0.046255% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.2687078756607252 (0.014923% change)
linmin: converged after 6 iterations.
iteration 13: trace = 0.2686863756603578 (0.00800157% change)
linmin: converged after 7 iterations.
iteration 14: trace = 0.2686684185721623 (0.00668351% change)
linmin: converged after 6 iterations.
iteration 15: trace = 0.2686570148080031 (0.00424464% change)
linmin: converged after 17 iterations.
iteration 16: trace = 0.268652805217613 (0.00156691% change)
linmin: converged after 5 iterations.
iteration 17: trace = 0.2686509505034628 (0.000690378% change)
linmin: converged after 5 iterations.
iteration 18: trace = 0.2686504308755889 (0.000193421% change)
linmin: converged after 6 iterations.
iteration 19: trace = 0.2686501381175699 (0.000108974% change)
linmin: converged after 5 iterations.
iteration 20: trace = 0.2686498488710278 (0.000107667% change)
linmin: converged after 10 iterations.
iteration 21: trace = 0.2686495704063583 (0.000103653% change)
linmin: converged after 4 iterations.
iteration 22: trace = 0.2686494341954686 (5.07021e-05% change)
linmin: converged after 3 iterations.
iteration 23: trace = 0.2686493830081793 (1.90536e-05% change)
linmin: converged after 8 iterations.
iteration 24: trace = 0.2686493569011658 (9.71788e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 0.2686493401670464 (6.22898e-06% change)
linmin: converged after 15 iterations.
iteration 26: trace = 0.2686493260250441 (5.26411e-06% change)
linmin: converged after 14 iterations.
iteration 27: trace = 0.2686493177550091 (3.07838e-06% change)
linmin: converged after 8 iterations.
iteration 28: trace = 0.2686493141307851 (1.34905e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.2686493133317617 (2.97422e-07% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.2686493131406507 (7.11377e-08% change)
linmin: converged after 12 iterations.
iteration 31: trace = 0.2686493130940811 (1.73347e-08% change)
linmin: converged after 7 iterations.
iteration 32: trace = 0.2686493130827958 (4.20076e-09% change)
linmin: converged after 4 iterations.
iteration 33: trace = 0.2686493130763734 (2.39063e-09% change)
linmin: converged after 3 iterations.
iteration 34: trace = 0.2686493130709365 (2.02376e-09% change)
linmin: converged after 4 iterations.
iteration 35: trace = 0.2686493130667552 (1.55642e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 0.2686493130652058 (5.76726e-10% change)
linmin: converged after 4 iterations.
iteration 37: trace = 0.2686493130645825 (2.32046e-10% change)
linmin: converged after 4 iterations.
iteration 38: trace = 0.2686493130639919 (2.19814e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 0.2686493130635764 (1.54684e-10% change)
linmin: converged after 3 iterations.
iteration 40: trace = 0.2686493130631483 (1.59333e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 0.2686493130629787 (6.31463e-11% change)
Finished solving for bands 1 to 4 after 41 iterations.
freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675
elapsed time for k point: 0.6123244762420654
zparity:, 1, 0.9918457643228179, -0.9993165778921195, 0.9263952713814154, 0.7342879854782446
yparity:, 1, -0.9999999941669406, 0.9999999948774738, 0.9999993171394717, -0.999990344073027
solve_kpoint (0.39,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
iteration 1: trace = 0.6221572131378938 (6.85988% change)
linmin: converged after 4 iterations.
iteration 2: trace = 0.6115306387019352 (1.72273% change)
linmin: converged after 5 iterations.
iteration 3: trace = 0.6092236100640543 (0.377968% change)
linmin: converged after 5 iterations.
iteration 4: trace = 0.6078935744602481 (0.218555% change)
linmin: converged after 5 iterations.
iteration 5: trace = 0.6073391521678972 (0.0912455% change)
linmin: converged after 4 iterations.
iteration 6: trace = 0.6070826550178495 (0.0422419% change)
linmin: converged after 4 iterations.
iteration 7: trace = 0.6070081174319422 (0.0122788% change)
linmin: converged after 4 iterations.
iteration 8: trace = 0.606940339078468 (0.0111666% change)
linmin: converged after 4 iterations.
iteration 9: trace = 0.6069054512212686 (0.00574832% change)
linmin: converged after 4 iterations.
iteration 10: trace = 0.6068924091656933 (0.00214897% change)
linmin: converged after 4 iterations.
iteration 11: trace = 0.6068870095060074 (0.000889727% change)
linmin: converged after 4 iterations.
iteration 12: trace = 0.6068853033452269 (0.000281134% change)
linmin: converged after 4 iterations.
iteration 13: trace = 0.6068844690828906 (0.000137466% change)
linmin: converged after 4 iterations.
iteration 14: trace = 0.6068841755207727 (4.8372e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 0.6068840418585751 (2.20243e-05% change)
linmin: converged after 5 iterations.
iteration 16: trace = 0.6068839789046578 (1.03733e-05% change)
linmin: converged after 19 iterations.
iteration 17: trace = 0.6068839547900545 (3.97351e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 0.606883945245713 (1.57268e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 0.6068839423137261 (4.83122e-07% change)
linmin: converged after 20 iterations.
iteration 20: trace = 0.6068839407794877 (2.52806e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 0.6068839400027495 (1.27988e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 0.6068839396340793 (6.07481e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 0.6068839395282135 (1.74442e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 0.6068839394969785 (5.14679e-09% change)
linmin: converged after 3 iterations.
iteration 25: trace = 0.6068839394888982 (1.33144e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 0.6068839394859072 (4.92836e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 0.6068839394838377 (3.41015e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 0.6068839394826209 (2.005e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 0.6068839394820108 (1.00525e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 0.6068839394817219 (4.76005e-11% change)
Finished solving for bands 1 to 4 after 30 iterations.
freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163
elapsed time for k point: 0.5613219738006592
zparity:, 2, 0.8497976290471405, -0.8562083115818881, 0.6135047144631055, 0.704049364345392
yparity:, 2, -0.9999999782411441, 0.9999997901628067, 1.0000058683415471, -0.9999353452681622
solve_kpoint (0.68,0,0):
Solving for bands 1 to 4...
linmin: converged after 21 iterations.
iteration 1: trace = 1.264470565178877 (5.39004% change)
linmin: converged after 7 iterations.
iteration 2: trace = 1.235883601252425 (2.28663% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.224582577504285 (0.918608% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.218161286461312 (0.525744% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.214962361840383 (0.262948% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.212817357026515 (0.176705% change)
linmin: converged after 5 iterations.
iteration 7: trace = 1.211094436585433 (0.14216% change)
linmin: converged after 5 iterations.
iteration 8: trace = 1.209359468525546 (0.143359% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.208547294329952 (0.0671799% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.208042238046542 (0.0417991% change)
linmin: converged after 3 iterations.
iteration 11: trace = 1.207823296099763 (0.0181253% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.207749466956222 (0.00611277% change)
linmin: converged after 4 iterations.
iteration 13: trace = 1.20771981883369 (0.00245485% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.207710829505016 (0.000744325% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.207706751669037 (0.000337651% change)
linmin: converged after 5 iterations.
iteration 16: trace = 1.207705249394522 (0.000124391% change)
linmin: converged after 3 iterations.
iteration 17: trace = 1.20770478657245 (3.83224e-05% change)
linmin: converged after 20 iterations.
iteration 18: trace = 1.207704628833406 (1.30611e-05% change)
linmin: converged after 2 iterations.
iteration 19: trace = 1.207704566628058 (5.15071e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 1.20770453578298 (2.55403e-06% change)
linmin: converged after 9 iterations.
iteration 21: trace = 1.20770451896597 (1.39248e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.207704506350381 (1.04459e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.207704497493669 (7.33351e-07% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.207704491987183 (4.55946e-07% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.207704488731018 (2.69616e-07% change)
linmin: converged after 28 iterations.
iteration 26: trace = 1.207704487630348 (9.11373e-08% change)
linmin: converged after 2 iterations.
iteration 27: trace = 1.207704487187941 (3.66321e-08% change)
linmin: converged after 22 iterations.
iteration 28: trace = 1.207704487019389 (1.39564e-08% change)
linmin: converged after 4 iterations.
iteration 29: trace = 1.207704486953286 (5.4734e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 1.207704486927153 (2.16387e-09% change)
linmin: converged after 3 iterations.
iteration 31: trace = 1.207704486920015 (5.91099e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 1.207704486917501 (2.08107e-10% change)
linmin: converged after 7 iterations.
iteration 33: trace = 1.207704486916822 (5.62602e-11% change)
Finished solving for bands 1 to 4 after 33 iterations.
freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058
elapsed time for k point: 0.5627419948577881
zparity:, 3, 0.6430471097763378, -0.5132970564866739, 0.749333227900428, -0.5174581393558557
yparity:, 3, -1.0000092437102697, 0.9999867307863303, -0.9999773484878274, 0.999973952733607
solve_kpoint (0.97,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
iteration 1: trace = 1.937534840488701 (4.15315% change)
linmin: converged after 9 iterations.
iteration 2: trace = 1.902810987196174 (1.80837% change)
linmin: converged after 5 iterations.
iteration 3: trace = 1.892740288337234 (0.530658% change)
linmin: converged after 5 iterations.
iteration 4: trace = 1.888078677874298 (0.246593% change)
linmin: converged after 5 iterations.
iteration 5: trace = 1.885790637823674 (0.121257% change)
linmin: converged after 4 iterations.
iteration 6: trace = 1.884495797862615 (0.0686866% change)
linmin: converged after 4 iterations.
iteration 7: trace = 1.88374243132957 (0.0399851% change)
linmin: converged after 4 iterations.
iteration 8: trace = 1.883417285428812 (0.0172621% change)
linmin: converged after 4 iterations.
iteration 9: trace = 1.883289886588672 (0.00676447% change)
linmin: converged after 4 iterations.
iteration 10: trace = 1.883239300159753 (0.0026861% change)
linmin: converged after 4 iterations.
iteration 11: trace = 1.883213276357727 (0.00138187% change)
linmin: converged after 4 iterations.
iteration 12: trace = 1.883202552103126 (0.000569467% change)
linmin: converged after 5 iterations.
iteration 13: trace = 1.883195968261362 (0.000349609% change)
linmin: converged after 4 iterations.
iteration 14: trace = 1.88319388727241 (0.000110503% change)
linmin: converged after 4 iterations.
iteration 15: trace = 1.883193169554692 (3.81117e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 1.883192877574134 (1.55045e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 1.883192794589782 (4.40658e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 1.88319275915188 (1.8818e-06% change)
linmin: converged after 18 iterations.
iteration 19: trace = 1.88319274804275 (5.89909e-07% change)
linmin: converged after 6 iterations.
iteration 20: trace = 1.883192744742946 (1.75224e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 1.883192743542449 (6.3748e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 1.883192743093152 (2.38583e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 1.883192742911183 (9.66277e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 1.883192742851258 (3.18212e-09% change)
linmin: converged after 2 iterations.
iteration 25: trace = 1.883192742827557 (1.25856e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 1.883192742817959 (5.09625e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 1.8831927428148 (1.67784e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 1.883192742813693 (5.87421e-11% change)
Finished solving for bands 1 to 4 after 28 iterations.
freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057
elapsed time for k point: 0.4272444248199463
zparity:, 4, 0.9505599456722603, -0.7953782494253178, 0.29095932960240484, -0.2599400191575976
yparity:, 4, -0.9999756485608305, 0.9999734198097727, -0.9999951573073894, 1.0000024021439267
solve_kpoint (1.26,0,0):
Solving for bands 1 to 4...
linmin: converged after 8 iterations.
iteration 1: trace = 2.691331240744543 (1.92976% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.671295720196588 (0.747228% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.664766792282935 (0.24471% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.656412156456098 (0.314014% change)
linmin: converged after 6 iterations.
iteration 5: trace = 2.640040929163081 (0.618196% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.625855470408069 (0.538767% change)
linmin: converged after 7 iterations.
iteration 7: trace = 2.618595095218605 (0.276878% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.61486394842613 (0.142588% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.611559982935209 (0.126433% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.608574632655308 (0.114378% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.606864668710099 (0.0655732% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.605988524589415 (0.0336148% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.605290071025088 (0.0268055% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.604861354149644 (0.016457% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.604545510488467 (0.0121259% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.604368153520022 (0.00680975% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.604272749282875 (0.00366331% change)
linmin: converged after 3 iterations.
iteration 18: trace = 2.604204130106353 (0.0026349% change)
linmin: converged after 3 iterations.
iteration 19: trace = 2.604166865970478 (0.00143093% change)
linmin: converged after 3 iterations.
iteration 20: trace = 2.604146033706994 (0.000799962% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.604132293019423 (0.000527648% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.604120260624403 (0.000462051% change)
linmin: converged after 3 iterations.
iteration 23: trace = 2.60411450033653 (0.000221199% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.604111450417369 (0.000117119% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.604109427544148 (7.768e-05% change)
linmin: converged after 6 iterations.
iteration 26: trace = 2.604108092320789 (5.12737e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 2.604107084206202 (3.87125e-05% change)
linmin: converged after 4 iterations.
iteration 28: trace = 2.604106651525088 (1.66153e-05% change)
linmin: converged after 2 iterations.
iteration 29: trace = 2.604106383464837 (1.02938e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 2.604106241639458 (5.44622e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 2.60410613975316 (3.91252e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 2.604106074195845 (2.51746e-06% change)
linmin: converged after 4 iterations.
iteration 33: trace = 2.604106025604111 (1.86597e-06% change)
linmin: converged after 3 iterations.
iteration 34: trace = 2.604105990411353 (1.35143e-06% change)
linmin: converged after 3 iterations.
iteration 35: trace = 2.604105970704682 (7.56754e-07% change)
linmin: converged after 3 iterations.
iteration 36: trace = 2.604105962023471 (3.33366e-07% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.6041059578616 (1.5982e-07% change)
linmin: converged after 4 iterations.
iteration 38: trace = 2.604105955505164 (9.04892e-08% change)
linmin: converged after 3 iterations.
iteration 39: trace = 2.604105953483296 (7.76415e-08% change)
linmin: converged after 13 iterations.
iteration 40: trace = 2.604105952144361 (5.14163e-08% change)
linmin: converged after 3 iterations.
iteration 41: trace = 2.604105951136476 (3.87037e-08% change)
linmin: converged after 19 iterations.
iteration 42: trace = 2.604105950573165 (2.16316e-08% change)
linmin: converged after 3 iterations.
iteration 43: trace = 2.604105950242607 (1.26937e-08% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.604105950072069 (6.54884e-09% change)
linmin: converged after 4 iterations.
iteration 45: trace = 2.60410594997155 (3.86001e-09% change)
linmin: converged after 4 iterations.
iteration 46: trace = 2.604105949909488 (2.38325e-09% change)
linmin: converged after 5 iterations.
iteration 47: trace = 2.60410594987232 (1.42727e-09% change)
linmin: converged after 7 iterations.
iteration 48: trace = 2.604105949849335 (8.82651e-10% change)
linmin: converged after 10 iterations.
iteration 49: trace = 2.604105949833428 (6.10837e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.604105949821816 (4.4593e-10% change)
linmin: converged after 13 iterations.
iteration 51: trace = 2.604105949814572 (2.78175e-10% change)
linmin: converged after 15 iterations.
iteration 52: trace = 2.604105949811256 (1.27304e-10% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.604105949809355 (7.30057e-11% change)
Finished solving for bands 1 to 4 after 53 iterations.
freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146
elapsed time for k point: 0.9074544906616211
zparity:, 5, 0.989433203648185, -0.941034559794807, -0.9057097520615617, 0.12590511638581192
yparity:, 5, -0.9999341958047732, 0.9999920496324087, -0.9999957145769162, 1.000021444719625
solve_kpoint (1.55,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
iteration 1: trace = 3.266395069799636 (2.05094% change)
linmin: converged after 5 iterations.
iteration 2: trace = 3.232377355655957 (1.0469% change)
linmin: converged after 5 iterations.
iteration 3: trace = 3.204495549844526 (0.866315% change)
linmin: converged after 4 iterations.
iteration 4: trace = 3.187386698874345 (0.535331% change)
linmin: converged after 4 iterations.
iteration 5: trace = 3.178841158375775 (0.268465% change)
linmin: converged after 4 iterations.
iteration 6: trace = 3.174359784713104 (0.141075% change)
linmin: converged after 4 iterations.
iteration 7: trace = 3.172271429703718 (0.0658099% change)
linmin: converged after 4 iterations.
iteration 8: trace = 3.17134496696653 (0.0292093% change)
linmin: converged after 4 iterations.
iteration 9: trace = 3.171078223607468 (0.0084114% change)
linmin: converged after 3 iterations.
iteration 10: trace = 3.171008879397914 (0.00218679% change)
linmin: converged after 4 iterations.
iteration 11: trace = 3.170984754524595 (0.000760798% change)
linmin: converged after 3 iterations.
iteration 12: trace = 3.170977067782426 (0.000242409% change)
linmin: converged after 4 iterations.
iteration 13: trace = 3.170972828710278 (0.000133684% change)
linmin: converged after 4 iterations.
iteration 14: trace = 3.170971244290356 (4.99664e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 3.170970553226566 (2.17934e-05% change)
linmin: converged after 13 iterations.
iteration 16: trace = 3.170970265011879 (9.08916e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 3.170970164110032 (3.18205e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 3.170970121317424 (1.34951e-06% change)
linmin: converged after 17 iterations.
iteration 19: trace = 3.170970104220449 (5.39172e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 3.170970094225263 (3.15209e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 3.170970088061036 (1.94396e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 3.170970085145857 (9.19334e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 3.170970083948763 (3.77517e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 3.17097008353335 (1.31005e-08% change)
linmin: converged after 4 iterations.
iteration 25: trace = 3.170970083397897 (4.27167e-09% change)
linmin: converged after 2 iterations.
iteration 26: trace = 3.17097008335296 (1.41712e-09% change)
linmin: converged after 2 iterations.
iteration 27: trace = 3.17097008333502 (5.65753e-10% change)
linmin: converged after 5 iterations.
iteration 28: trace = 3.170970083326961 (2.54174e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 3.170970083323875 (9.73196e-11% change)
Finished solving for bands 1 to 4 after 29 iterations.
freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502
elapsed time for k point: 0.4646754264831543
zparity:, 6, 0.9953267395054749, -0.9730766670048566, -0.9862479112199617, 0.7878496622990012
yparity:, 6, -0.9999079119736324, 0.9999964725104156, -1.0000003774905901, 1.0001762821171216
solve_kpoint (1.84,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
iteration 1: trace = 3.705421766635764 (1.60572% change)
linmin: converged after 5 iterations.
iteration 2: trace = 3.680251297972006 (0.681603% change)
linmin: converged after 5 iterations.
iteration 3: trace = 3.671551008004307 (0.236685% change)
linmin: converged after 4 iterations.
iteration 4: trace = 3.667866331047493 (0.100408% change)
linmin: converged after 4 iterations.
iteration 5: trace = 3.666884708312591 (0.0267664% change)
linmin: converged after 4 iterations.
iteration 6: trace = 3.66638081693654 (0.0137426% change)
linmin: converged after 4 iterations.
iteration 7: trace = 3.666217749636337 (0.00444774% change)
linmin: converged after 5 iterations.
iteration 8: trace = 3.666150582978095 (0.00183206% change)
linmin: converged after 5 iterations.
iteration 9: trace = 3.666126412642377 (0.000659286% change)
linmin: converged after 4 iterations.
iteration 10: trace = 3.666119045925772 (0.00020094% change)
linmin: converged after 5 iterations.
iteration 11: trace = 3.666116142667214 (7.91916e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 3.666115478266006 (1.81228e-05% change)
linmin: converged after 18 iterations.
iteration 13: trace = 3.66611525803746 (6.00714e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 3.66611519051509 (1.8418e-06% change)
linmin: converged after 15 iterations.
iteration 15: trace = 3.666115174200301 (4.45016e-07% change)
linmin: converged after 3 iterations.
iteration 16: trace = 3.666115169279941 (1.34212e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 3.666115167850357 (3.89945e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 3.666115167237356 (1.67207e-08% change)
linmin: converged after 2 iterations.
iteration 19: trace = 3.666115166888858 (9.50592e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 3.666115166571144 (8.66623e-09% change)
large trace change predicted (1.8721e-08%)
linmin: converged after 4 iterations.
iteration 21: trace = 3.666115165884804 (1.87212e-08% change)
large trace change predicted (4.39602e-08%)
linmin: converged after 3 iterations.
iteration 22: trace = 3.66611516427318 (4.396e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 3.666115161715032 (6.97782e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 3.66611515930568 (6.57195e-08% change)
linmin: converged after 16 iterations.
iteration 25: trace = 3.666115157581619 (4.70269e-08% change)
linmin: converged after 3 iterations.
iteration 26: trace = 3.66611515637112 (3.30186e-08% change)
linmin: converged after 3 iterations.
iteration 27: trace = 3.666115155743588 (1.71171e-08% change)
linmin: converged after 16 iterations.
iteration 28: trace = 3.666115155488844 (6.94863e-09% change)
linmin: converged after 2 iterations.
iteration 29: trace = 3.666115155416274 (1.97947e-09% change)
linmin: converged after 6 iterations.
iteration 30: trace = 3.66611515539475 (5.8711e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 3.666115155388822 (1.61689e-10% change)
linmin: converged after 6 iterations.
iteration 32: trace = 3.666115155387478 (3.66792e-11% change)
Finished solving for bands 1 to 4 after 32 iterations.
freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995
elapsed time for k point: 0.47156286239624023
zparity:, 7, 0.9973241081198855, -0.9843536270515871, -0.9920656947486447, 0.9432892229032792
yparity:, 7, -0.9998843493066418, 0.9999987176028815, -1.000004228955011, 1.0002512950943228
solve_kpoint (2.13,0,0):
Solving for bands 1 to 4...
linmin: converged after 4 iterations.
iteration 1: trace = 4.179248358292035 (0.910349% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.167780338438932 (0.274781% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.16577641413557 (0.0480929% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.164897072709951 (0.0211109% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.164637936358474 (0.00622211% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.164446201568772 (0.00460398% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.164369177257903 (0.00184959% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.164344541357556 (0.00059159% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.164337522751026 (0.000168541% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.164335843810516 (4.03171e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.164335332889441 (1.2269e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.164335230990685 (2.44694e-06% change)
linmin: converged after 14 iterations.
iteration 13: trace = 4.16433520253919 (6.83218e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.16433518775648 (3.54984e-07% change)
linmin: converged after 9 iterations.
iteration 15: trace = 4.164335171932652 (3.79984e-07% change)
large trace change predicted (1.02272e-06%)
linmin: converged after 3 iterations.
iteration 16: trace = 4.16433512934348 (1.02271e-06% change)
large trace change predicted (8.89366e-06%)
linmin: converged after 3 iterations.
iteration 17: trace = 4.164334759041199 (8.89223e-06% change)
near maximum in trace
linmin: converged after 15 iterations.
iteration 18: trace = 4.163167577853347 (0.028032% change)
linmin: converged after 6 iterations.
iteration 19: trace = 4.163166867716649 (1.70576e-05% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.163166155173582 (1.71154e-05% change)
linmin: converged after 8 iterations.
iteration 21: trace = 4.163165440428856 (1.71683e-05% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.163164723697292 (1.7216e-05% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.16316400516715 (1.72592e-05% change)
linmin: converged after 5 iterations.
iteration 24: trace = 4.163163285001877 (1.72985e-05% change)
linmin: converged after 5 iterations.
iteration 25: trace = 4.163162563341739 (1.73344e-05% change)
linmin: converged after 9 iterations.
iteration 26: trace = 4.163161840305374 (1.73675e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 4.163161115991569 (1.73982e-05% change)
linmin: converged after 20 iterations.
iteration 28: trace = 4.163160390480732 (1.74269e-05% change)
linmin: converged after 8 iterations.
iteration 29: trace = 4.163159663823327 (1.74545e-05% change)
linmin: converged after 5 iterations.
iteration 30: trace = 4.163158936093581 (1.74802e-05% change)
linmin: converged after 5 iterations.
iteration 31: trace = 4.163158207312479 (1.75055e-05% change)
linmin: converged after 5 iterations.
iteration 32: trace = 4.163157477501239 (1.75302e-05% change)
linmin: converged after 4 iterations.
iteration 33: trace = 4.1631567466695 (1.75547e-05% change)
linmin: converged after 10 iterations.
iteration 34: trace = 4.163156014816309 (1.75793e-05% change)
linmin: converged after 5 iterations.
iteration 35: trace = 4.163155281924494 (1.76042e-05% change)
linmin: converged after 10 iterations.
iteration 36: trace = 4.163154547988507 (1.76293e-05% change)
linmin: converged after 4 iterations.
iteration 37: trace = 4.163153812969774 (1.76553e-05% change)
linmin: converged after 5 iterations.
iteration 38: trace = 4.163153076844683 (1.76819e-05% change)
linmin: converged after 7 iterations.
iteration 39: trace = 4.163152339568214 (1.77096e-05% change)
linmin: converged after 10 iterations.
iteration 40: trace = 4.163151601094802 (1.77383e-05% change)
linmin: converged after 6 iterations.
iteration 41: trace = 4.163150861366489 (1.77685e-05% change)
linmin: converged after 18 iterations.
iteration 42: trace = 4.163150120337079 (1.77997e-05% change)
linmin: converged after 9 iterations.
iteration 43: trace = 4.163149377947414 (1.78324e-05% change)
linmin: converged after 5 iterations.
iteration 44: trace = 4.163148634138187 (1.78665e-05% change)
linmin: converged after 7 iterations.
iteration 45: trace = 4.163147888839058 (1.79023e-05% change)
linmin: converged after 4 iterations.
iteration 46: trace = 4.163147141981497 (1.79397e-05% change)
linmin: converged after 6 iterations.
iteration 47: trace = 4.163146393494435 (1.79789e-05% change)
linmin: converged after 16 iterations.
iteration 48: trace = 4.163145643304694 (1.80198e-05% change)
linmin: converged after 5 iterations.
iteration 49: trace = 4.163144891337117 (1.80625e-05% change)
linmin: converged after 7 iterations.
iteration 50: trace = 4.163144137514846 (1.8107e-05% change)
linmin: converged after 5 iterations.
iteration 51: trace = 4.163143381759674 (1.81535e-05% change)
linmin: converged after 8 iterations.
iteration 52: trace = 4.163142623991929 (1.82018e-05% change)
linmin: converged after 9 iterations.
iteration 53: trace = 4.163141864130939 (1.82521e-05% change)
linmin: converged after 5 iterations.
iteration 54: trace = 4.163141102094985 (1.83043e-05% change)
linmin: converged after 11 iterations.
iteration 55: trace = 4.163140337801628 (1.83586e-05% change)
linmin: converged after 11 iterations.
iteration 56: trace = 4.163139571167647 (1.84148e-05% change)
linmin: converged after 12 iterations.
iteration 57: trace = 4.163138802109344 (1.8473e-05% change)
linmin: converged after 9 iterations.
iteration 58: trace = 4.163138030542482 (1.85333e-05% change)
linmin: converged after 6 iterations.
iteration 59: trace = 4.16313725638252 (1.85956e-05% change)
linmin: converged after 17 iterations.
iteration 60: trace = 4.163136479544573 (1.86599e-05% change)
linmin: converged after 4 iterations.
iteration 61: trace = 4.163135699943616 (1.87263e-05% change)
linmin: converged after 10 iterations.
iteration 62: trace = 4.163134917494516 (1.87947e-05% change)
linmin: converged after 10 iterations.
iteration 63: trace = 4.163134132112027 (1.88652e-05% change)
linmin: converged after 8 iterations.
iteration 64: trace = 4.163133343710971 (1.89377e-05% change)
linmin: converged after 7 iterations.
iteration 65: trace = 4.163132552206249 (1.90122e-05% change)
linmin: converged after 3 iterations.
iteration 66: trace = 4.16313175751296 (1.90888e-05% change)
linmin: converged after 6 iterations.
iteration 67: trace = 4.163130959546328 (1.91675e-05% change)
linmin: converged after 5 iterations.
iteration 68: trace = 4.163130158221916 (1.92481e-05% change)
linmin: converged after 4 iterations.
iteration 69: trace = 4.163129353455564 (1.93308e-05% change)
resetting CG direction...
large trace change predicted (0.200481%)
linmin: converged after 4 iterations.
iteration 70: trace = 4.154754245510407 (0.201376% change)
linmin: converged after 4 iterations.
iteration 71: trace = 4.15173076788249 (0.072798% change)
linmin: converged after 4 iterations.
iteration 72: trace = 4.150327717100708 (0.0338001% change)
linmin: converged after 3 iterations.
iteration 73: trace = 4.149564335379193 (0.018395% change)
linmin: converged after 5 iterations.
iteration 74: trace = 4.149045201641229 (0.0125113% change)
linmin: converged after 7 iterations.
iteration 75: trace = 4.148540725452632 (0.0121596% change)
linmin: converged after 4 iterations.
iteration 76: trace = 4.147913016108395 (0.015132% change)
linmin: converged after 5 iterations.
iteration 77: trace = 4.146963344459174 (0.0228978% change)
linmin: converged after 5 iterations.
iteration 78: trace = 4.145419666151612 (0.0372312% change)
linmin: converged after 5 iterations.
iteration 79: trace = 4.143768429829017 (0.0398407% change)
linmin: converged after 4 iterations.
iteration 80: trace = 4.14281362387139 (0.0230446% change)
linmin: converged after 4 iterations.
iteration 81: trace = 4.142427720615804 (0.00931544% change)
linmin: converged after 3 iterations.
iteration 82: trace = 4.142309327545611 (0.0028581% change)
linmin: converged after 3 iterations.
iteration 83: trace = 4.142270291880828 (0.000942369% change)
linmin: converged after 3 iterations.
iteration 84: trace = 4.142259228294336 (0.00026709% change)
linmin: converged after 4 iterations.
iteration 85: trace = 4.142254098503172 (0.00012384% change)
linmin: converged after 4 iterations.
iteration 86: trace = 4.14225182546923 (5.48743e-05% change)
linmin: converged after 5 iterations.
iteration 87: trace = 4.142250854513584 (2.34403e-05% change)
linmin: converged after 2 iterations.
iteration 88: trace = 4.14225045821334 (9.56727e-06% change)
linmin: converged after 5 iterations.
iteration 89: trace = 4.142250015988236 (1.0676e-05% change)
linmin: converged after 4 iterations.
iteration 90: trace = 4.142249199717005 (1.9706e-05% change)
linmin: converged after 5 iterations.
iteration 91: trace = 4.142248059500087 (2.75265e-05% change)
linmin: converged after 6 iterations.
iteration 92: trace = 4.142246315184003 (4.21104e-05% change)
linmin: converged after 5 iterations.
iteration 93: trace = 4.142245417573851 (2.16696e-05% change)
linmin: converged after 4 iterations.
iteration 94: trace = 4.142245181152836 (5.70756e-06% change)
linmin: converged after 7 iterations.
iteration 95: trace = 4.142245107963932 (1.76689e-06% change)
linmin: converged after 2 iterations.
iteration 96: trace = 4.142245088102365 (4.79488e-07% change)
linmin: converged after 2 iterations.
iteration 97: trace = 4.142245076893739 (2.70593e-07% change)
linmin: converged after 2 iterations.
iteration 98: trace = 4.142245071669429 (1.26123e-07% change)
linmin: converged after 18 iterations.
iteration 99: trace = 4.14224506975574 (4.61993e-08% change)
linmin: converged after 2 iterations.
iteration 100: trace = 4.142245069000498 (1.82327e-08% change)
linmin: converged after 2 iterations.
iteration 101: trace = 4.142245068687292 (7.56125e-09% change)
linmin: converged after 2 iterations.
iteration 102: trace = 4.142245068426465 (6.29675e-09% change)
linmin: converged after 2 iterations.
iteration 103: trace = 4.142245068025394 (9.68246e-09% change)
linmin: converged after 2 iterations.
iteration 104: trace = 4.142245067241641 (1.8921e-08% change)
linmin: converged after 2 iterations.
iteration 105: trace = 4.142245066287526 (2.30338e-08% change)
linmin: converged after 2 iterations.
iteration 106: trace = 4.142245065572538 (1.72609e-08% change)
linmin: converged after 2 iterations.
iteration 107: trace = 4.142245065259723 (7.55184e-09% change)
linmin: converged after 4 iterations.
iteration 108: trace = 4.142245065162617 (2.34427e-09% change)
linmin: converged after 2 iterations.
iteration 109: trace = 4.142245065142509 (4.85446e-10% change)
linmin: converged after 3 iterations.
iteration 110: trace = 4.142245065136625 (1.42053e-10% change)
linmin: converged after 3 iterations.
iteration 111: trace = 4.142245065134212 (5.82578e-11% change)
Finished solving for bands 1 to 4 after 111 iterations.
freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313
elapsed time for k point: 2.5950865745544434
zparity:, 8, 0.9982486290504695, -0.9895791222995164, -0.994248025412605, -0.9858374395349168
yparity:, 8, -0.9998633635883192, 1.0000002772667547, -1.0000094946113083, -0.999844607741168
solve_kpoint (2.42,0,0):
Solving for bands 1 to 4...
linmin: converged after 5 iterations.
iteration 1: trace = 4.66576646587618 (0.565815% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.659489395826913 (0.134625% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.65889136343898 (0.0128355% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.658710963539905 (0.00387224% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.658687038855449 (0.000513549% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.658683256679821 (8.11855e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.658682393128453 (1.85364e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.658682225170777 (3.60526e-06% change)
linmin: converged after 9 iterations.
iteration 9: trace = 4.658682176904296 (1.03605e-06% change)
linmin: converged after 25 iterations.
iteration 10: trace = 4.658682160894794 (3.43649e-07% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.658682157651022 (6.96285e-08% change)
linmin: converged after 17 iterations.
iteration 12: trace = 4.658682156823374 (1.77657e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.658682156624822 (4.26196e-09% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.658682156534677 (1.93498e-09% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.65868215647283 (1.32757e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.658682156406849 (1.4163e-09% change)
linmin: converged after 12 iterations.
iteration 17: trace = 4.658682156300642 (2.27978e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.658682156170636 (2.7906e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.65868215606024 (2.36969e-09% change)
linmin: converged after 9 iterations.
iteration 20: trace = 4.658682156016951 (9.2921e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 4.658682156004993 (2.56691e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 4.658682156001969 (6.48973e-11% change)
Finished solving for bands 1 to 4 after 22 iterations.
freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602
elapsed time for k point: 0.5553555488586426
zparity:, 9, 0.9987530861904907, -0.992422557413354, -0.9954159207907912, -0.9908510257241977
yparity:, 9, -0.9998459146893185, 1.000001510036809, -1.0000160082783394, -0.999840967114548
solve_kpoint (2.71,0,0):
Solving for bands 1 to 4...
linmin: converged after 4 iterations.
iteration 1: trace = 5.231306463684409 (0.398399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.22647648399617 (0.092371% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.22599683203071 (0.00917777% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.225846177241165 (0.00288284% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.225825962252779 (0.000386828% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.225822836954253 (5.98049e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 5.225822132024463 (1.34894e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 5.225821997941996 (2.56577e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 5.225821960503557 (7.16412e-07% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.225821946532268 (2.67351e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.225821943078974 (6.60813e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.225821942125431 (1.82468e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.225821941909173 (4.13826e-09% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.22582194183999 (1.32387e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.22582194182071 (3.68931e-10% change)
linmin: converged after 7 iterations.
iteration 16: trace = 5.225821941816028 (8.96027e-11% change)
Finished solving for bands 1 to 4 after 16 iterations.
freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208
elapsed time for k point: 0.2458486557006836
zparity:, 10, 0.9990584518844122, -0.994138505459672, -0.9961444762112268, -0.9934909746544547
yparity:, 10, -0.9998332718977178, 1.0000025246212318, -1.0000230923335942, -0.999834812138767
solve_kpoint (3,0,0):
Solving for bands 1 to 4...
linmin: converged after 4 iterations.
iteration 1: trace = 5.849410752654945 (0.287035% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.845548946596236 (0.0660422% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.845128893013058 (0.00718613% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.844992170146363 (0.00233912% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.844973984450399 (0.000311133% change)
linmin: converged after 2 iterations.
iteration 6: trace = 5.84497115165891 (4.84654e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 5.844970494856531 (1.12371e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 5.844970368036914 (2.16972e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 5.844970331184173 (6.30503e-07% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.844970316460044 (2.51911e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 5.844970312633015 (6.54756e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.844970311596864 (1.77272e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.844970311355159 (4.13527e-09% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.844970311278132 (1.31782e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.84497031125801 (3.44256e-10% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.844970311254003 (6.85626e-11% change)
Finished solving for bands 1 to 4 after 16 iterations.
freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105
Felapsed time for k point: 0.2553365230560303
zparity:, 11, 0.9992573509363805, -0.9952507980579985, -0.9966396089669408, -0.9950905165812846
yparity:, 11, -0.9998264814151204, 1.000003358403511, -1.0000301573652728, -0.9998331550674042
Band 1 range: 0.080758205340476 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106418 at Vector3<3.0, 0.0, 0.0>
Band 2 range: 0.08557653550125252 at Vector3<0.1, 0.0, 0.0> to 1.10428530979045 at Vector3<3.0, 0.0, 0.0>
Band 3 range: 0.3146996800330991 at Vector3<0.1, 0.0, 0.0> to 1.276928808773857 at Vector3<3.0, 0.0, 0.0>
Band 4 range: 0.39467479434568936 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201518 at Vector3<3.0, 0.0, 0.0>
total elapsed time for run: 7.6739280223846436
done
/tmp/meepNmMUdV/test_strip-0: 7.68s
/tmp/meepNmMUdV/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: 0.003824949264526367
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 13 iterations.
iteration 1: trace = 16.43562660590533 (193.917% change)
linmin: converged after 10 iterations.
iteration 2: trace = 7.351920810855171 (76.3736% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.329941397254133 (14.9392% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.918442393609876 (6.71924% change)
linmin: converged after 6 iterations.
iteration 5: trace = 5.712255051176378 (3.54557% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.624721696995334 (1.54421% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.583016188199361 (0.744227% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.565960673604635 (0.305957% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.557351252877781 (0.1548% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.55244385730382 (0.0883436% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.550826665186309 (0.02913% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.550071017062059 (0.0136142% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.549667865137097 (0.00726417% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.549419098471844 (0.00448265% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.549201514032061 (0.00392093% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.549037844751994 (0.00294946% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.548889740781735 (0.00266904% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.548754804761282 (0.0024318% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.548644091157705 (0.00199531% change)
linmin: converged after 14 iterations.
iteration 20: trace = 5.548524364285475 (0.00215779% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.548418602726031 (0.00190614% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.54831793424384 (0.00181438% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.548235771337675 (0.00148087% change)
linmin: converged after 6 iterations.
iteration 24: trace = 5.548181174457721 (0.000984045% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.548144653665579 (0.00065825% change)
linmin: converged after 5 iterations.
iteration 26: trace = 5.548127351759616 (0.000311851% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.548121244543283 (0.000110077% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.548118926956778 (4.17725e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 5.548118170004988 (1.36434e-05% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.548117904026016 (4.79404e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.548117798474841 (1.90247e-06% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.54811775729463 (7.42238e-07% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.548117740307523 (3.06178e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.548117733319989 (1.25944e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.548117730674539 (4.76819e-08% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.548117729177087 (2.69903e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.54811772823478 (1.69843e-08% change)
linmin: converged after 2 iterations.
iteration 38: trace = 5.548117727523436 (1.28214e-08% change)
linmin: converged after 2 iterations.
iteration 39: trace = 5.548117726999217 (9.44859e-09% change)
linmin: converged after 2 iterations.
iteration 40: trace = 5.548117726687242 (5.62307e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 5.548117726496123 (3.44476e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 5.548117726360604 (2.44261e-09% change)
linmin: converged after 6 iterations.
iteration 43: trace = 5.548117726206085 (2.78507e-09% change)
linmin: converged after 10 iterations.
iteration 44: trace = 5.548117726001972 (3.67896e-09% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.548117725798148 (3.67374e-09% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.548117725621693 (3.18045e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.54811772548158 (2.52541e-09% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.548117725398308 (1.50091e-09% change)
linmin: converged after 2 iterations.
iteration 49: trace = 5.548117725355068 (7.79365e-10% change)
linmin: converged after 4 iterations.
iteration 50: trace = 5.548117725335229 (3.57585e-10% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.548117725327509 (1.39147e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.548117725324876 (4.74496e-11% change)
Finished solving for bands 2 to 8 after 52 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 0.35387396812438965
solve_kpoint (0.1,0,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.581244026696579 (0.239558% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.573791920490528 (0.13361% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.571430967957808 (0.0423671% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.56995152552694 (0.0265576% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.569099786966818 (0.0152928% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.5684121262993 (0.0123486% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.567981960122109 (0.00772541% change)
linmin: converged after 13 iterations.
iteration 8: trace = 5.567696791864479 (0.0051217% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567558435607828 (0.00248501% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.56746948848721 (0.00159761% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.567431480620834 (0.00068268% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.567416724767054 (0.000265039% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.567411215307485 (9.8959e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567409796394108 (2.54861e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.567409186003925 (1.09636e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.567408898969473 (5.15562e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.567408776892014 (2.19272e-06% change)
linmin: converged after 6 iterations.
iteration 18: trace = 5.567408723106361 (9.66081e-07% change)
linmin: converged after 12 iterations.
iteration 19: trace = 5.567408704724748 (3.30165e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 5.567408695925389 (1.58051e-07% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567408689562797 (1.14283e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.567408680883132 (1.55901e-07% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.567408666017566 (2.67011e-07% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.56740864508755 (3.75938e-07% change)
linmin: converged after 8 iterations.
iteration 25: trace = 5.567408614756893 (5.44789e-07% change)
large trace change predicted (2.01089e-06%)
linmin: converged after 7 iterations.
iteration 26: trace = 5.567408502817544 (2.01062e-06% change)
near maximum in trace
linmin: converged after 13 iterations.
iteration 27: trace = 5.566934851085883 (0.00850794% change)
linmin: converged after 6 iterations.
iteration 28: trace = 5.566934545905098 (5.48203e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.566934240708354 (5.48231e-06% change)
linmin: converged after 14 iterations.
iteration 30: trace = 5.566933935594792 (5.48082e-06% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.566933630650491 (5.47778e-06% change)
linmin: converged after 7 iterations.
iteration 32: trace = 5.566933325949387 (5.47341e-06% change)
linmin: converged after 8 iterations.
iteration 33: trace = 5.566933021554375 (5.46791e-06% change)
linmin: converged after 7 iterations.
iteration 34: trace = 5.566932717518105 (5.46147e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 5.566932413884034 (5.45424e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 5.566932110687171 (5.44639e-06% change)
linmin: converged after 6 iterations.
iteration 37: trace = 5.566931807954935 (5.43804e-06% change)
linmin: converged after 6 iterations.
iteration 38: trace = 5.566931505707939 (5.42933e-06% change)
linmin: converged after 7 iterations.
iteration 39: trace = 5.566931203960672 (5.42035e-06% change)
linmin: converged after 8 iterations.
iteration 40: trace = 5.56693090267999 (5.41197e-06% change)
linmin: converged after 5 iterations.
iteration 41: trace = 5.566930601954319 (5.402e-06% change)
linmin: converged after 7 iterations.
iteration 42: trace = 5.566930301741351 (5.39279e-06% change)
linmin: converged after 5 iterations.
iteration 43: trace = 5.566930002002285 (5.38428e-06% change)
linmin: converged after 5 iterations.
iteration 44: trace = 5.566929702799305 (5.37465e-06% change)
linmin: converged after 5 iterations.
iteration 45: trace = 5.566929404087308 (5.36583e-06% change)
linmin: converged after 5 iterations.
iteration 46: trace = 5.566929105853363 (5.35724e-06% change)
linmin: converged after 4 iterations.
iteration 47: trace = 5.566928808082306 (5.34893e-06% change)
linmin: converged after 4 iterations.
iteration 48: trace = 5.566928510757001 (5.34092e-06% change)
linmin: converged after 20 iterations.
iteration 49: trace = 5.566928213858596 (5.33325e-06% change)
linmin: converged after 7 iterations.
iteration 50: trace = 5.566927917347009 (5.32631e-06% change)
linmin: converged after 5 iterations.
iteration 51: trace = 5.56692762122093 (5.31938e-06% change)
linmin: converged after 9 iterations.
iteration 52: trace = 5.566927325476911 (5.31252e-06% change)
linmin: converged after 5 iterations.
iteration 53: trace = 5.566927030055449 (5.30672e-06% change)
linmin: converged after 10 iterations.
iteration 54: trace = 5.566926734965617 (5.30077e-06% change)
linmin: converged after 7 iterations.
iteration 55: trace = 5.566926440152751 (5.29579e-06% change)
linmin: converged after 8 iterations.
iteration 56: trace = 5.566926145605333 (5.29102e-06% change)
linmin: converged after 11 iterations.
iteration 57: trace = 5.56692585129894 (5.28669e-06% change)
linmin: converged after 5 iterations.
iteration 58: trace = 5.566925557217568 (5.28265e-06% change)
linmin: converged after 5 iterations.
iteration 59: trace = 5.566925263323734 (5.27928e-06% change)
linmin: converged after 8 iterations.
iteration 60: trace = 5.566924969591318 (5.27639e-06% change)
linmin: converged after 11 iterations.
iteration 61: trace = 5.566924675991352 (5.27401e-06% change)
linmin: converged after 5 iterations.
iteration 62: trace = 5.566924382500619 (5.27204e-06% change)
linmin: converged after 9 iterations.
iteration 63: trace = 5.56692408909511 (5.27051e-06% change)
linmin: converged after 5 iterations.
iteration 64: trace = 5.566923795746237 (5.2695e-06% change)
linmin: converged after 4 iterations.
iteration 65: trace = 5.566923502428038 (5.26895e-06% change)
linmin: converged after 7 iterations.
iteration 66: trace = 5.566923209114688 (5.26886e-06% change)
linmin: converged after 4 iterations.
iteration 67: trace = 5.566922915780499 (5.26923e-06% change)
linmin: converged after 7 iterations.
iteration 68: trace = 5.566922622400043 (5.27007e-06% change)
linmin: converged after 7 iterations.
iteration 69: trace = 5.566922328948073 (5.27135e-06% change)
resetting CG direction...
large trace change predicted (0.0754159%)
linmin: converged after 3 iterations.
iteration 70: trace = 5.562718724088476 (0.0755389% change)
linmin: converged after 4 iterations.
iteration 71: trace = 5.559516689051939 (0.057579% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.556792860791985 (0.049006% change)
linmin: converged after 4 iterations.
iteration 73: trace = 5.554011677048612 (0.0500627% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.552006779099208 (0.0361047% change)
linmin: converged after 4 iterations.
iteration 75: trace = 5.550548773465738 (0.0262643% change)
linmin: converged after 4 iterations.
iteration 76: trace = 5.549458153453674 (0.0196508% change)
linmin: converged after 4 iterations.
iteration 77: trace = 5.548474786698042 (0.0177216% change)
linmin: converged after 4 iterations.
iteration 78: trace = 5.547114994145568 (0.0245105% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.545236125369406 (0.0338768% change)
linmin: converged after 5 iterations.
iteration 80: trace = 5.543228836172743 (0.036205% change)
linmin: converged after 5 iterations.
iteration 81: trace = 5.54188438803612 (0.0242568% change)
linmin: converged after 4 iterations.
iteration 82: trace = 5.541240119330554 (0.0116261% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.540832156463316 (0.00736257% change)
linmin: converged after 3 iterations.
iteration 84: trace = 5.540632123603491 (0.00361022% change)
linmin: converged after 3 iterations.
iteration 85: trace = 5.540551228938874 (0.00146004% change)
linmin: converged after 3 iterations.
iteration 86: trace = 5.540517984810396 (0.000600017% change)
linmin: converged after 4 iterations.
iteration 87: trace = 5.540507597169288 (0.000187485% change)
linmin: converged after 3 iterations.
iteration 88: trace = 5.540503183395751 (7.96637e-05% change)
linmin: converged after 3 iterations.
iteration 89: trace = 5.540501523814546 (2.99536e-05% change)
linmin: converged after 3 iterations.
iteration 90: trace = 5.54050079214998 (1.32057e-05% change)
linmin: converged after 4 iterations.
iteration 91: trace = 5.540500270567273 (9.414e-06% change)
linmin: converged after 4 iterations.
iteration 92: trace = 5.540499833542576 (7.88782e-06% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.540499530669242 (5.46653e-06% change)
linmin: converged after 4 iterations.
iteration 94: trace = 5.540499208216812 (5.81992e-06% change)
linmin: converged after 4 iterations.
iteration 95: trace = 5.540498785955451 (7.62136e-06% change)
linmin: converged after 4 iterations.
iteration 96: trace = 5.540498246327814 (9.73969e-06% change)
linmin: converged after 4 iterations.
iteration 97: trace = 5.540497716385169 (9.56489e-06% change)
linmin: converged after 6 iterations.
iteration 98: trace = 5.540497529901405 (3.36583e-06% change)
linmin: converged after 8 iterations.
iteration 99: trace = 5.540497433326616 (1.74307e-06% change)
linmin: converged after 3 iterations.
iteration 100: trace = 5.540497373155734 (1.08602e-06% change)
linmin: converged after 5 iterations.
iteration 101: trace = 5.540497320964809 (9.4199e-07% change)
linmin: converged after 4 iterations.
iteration 102: trace = 5.540497282508619 (6.94093e-07% change)
linmin: converged after 9 iterations.
iteration 103: trace = 5.54049726043355 (3.98431e-07% change)
linmin: converged after 2 iterations.
iteration 104: trace = 5.540497250241822 (1.8395e-07% change)
linmin: converged after 2 iterations.
iteration 105: trace = 5.540497245842301 (7.94066e-08% change)
linmin: converged after 25 iterations.
iteration 106: trace = 5.540497244299191 (2.78515e-08% change)
linmin: converged after 7 iterations.
iteration 107: trace = 5.540497243578674 (1.30046e-08% change)
linmin: converged after 16 iterations.
iteration 108: trace = 5.540497243253048 (5.87719e-09% change)
linmin: converged after 4 iterations.
iteration 109: trace = 5.540497243064197 (3.40857e-09% change)
linmin: converged after 13 iterations.
iteration 110: trace = 5.540497242958664 (1.90475e-09% change)
linmin: converged after 12 iterations.
iteration 111: trace = 5.540497242915103 (7.86224e-10% change)
linmin: converged after 3 iterations.
iteration 112: trace = 5.540497242880074 (6.32249e-10% change)
linmin: converged after 4 iterations.
iteration 113: trace = 5.540497242844611 (6.40056e-10% change)
linmin: converged after 15 iterations.
iteration 114: trace = 5.540497242790606 (9.74744e-10% change)
linmin: converged after 7 iterations.
iteration 115: trace = 5.540497242723315 (1.21452e-09% change)
linmin: converged after 18 iterations.
iteration 116: trace = 5.540497242658475 (1.1703e-09% change)
linmin: converged after 22 iterations.
iteration 117: trace = 5.540497242618894 (7.1439e-10% change)
linmin: converged after 6 iterations.
iteration 118: trace = 5.540497242597725 (3.82075e-10% change)
linmin: converged after 3 iterations.
iteration 119: trace = 5.540497242587068 (1.92352e-10% change)
linmin: converged after 3 iterations.
iteration 120: trace = 5.540497242581514 (1.0024e-10% change)
linmin: converged after 4 iterations.
iteration 121: trace = 5.540497242579415 (3.78965e-11% change)
Finished solving for bands 1 to 8 after 121 iterations.
tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
elapsed time for k point: 1.049494743347168
solve_kpoint (0.2,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.51428508189059 (0.408522% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.503847029239846 (0.18947% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.500839358032636 (0.0546616% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.499875093774635 (0.0175309% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.499509680600533 (0.00664425% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.499421768472925 (0.00159856% change)
linmin: converged after 7 iterations.
iteration 7: trace = 5.499394110717585 (0.000502922% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.499382402902834 (0.000212893% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.499378154643122 (7.72498e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.499376203353577 (3.5482e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.499375450158966 (1.3696e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.499375016510662 (2.44673e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.499374968565684 (8.71826e-07% change)
linmin: converged after 13 iterations.
iteration 15: trace = 5.499374952684464 (2.88782e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.499374947904283 (8.69223e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.499374946845075 (1.92605e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 5.499374946585434 (4.72129e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.49937494645959 (2.28832e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.499374946407673 (9.44063e-10% change)
linmin: converged after 7 iterations.
iteration 21: trace = 5.49937494637318 (6.27206e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.499374946343331 (5.42771e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.499374946309961 (6.06808e-10% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.499374946288362 (3.92749e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.49937494627979 (1.55869e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.499374946276072 (6.76061e-11% change)
Finished solving for bands 1 to 8 after 26 iterations.
tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
elapsed time for k point: 0.2092890739440918
solve_kpoint (0.3,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.496167070075768 (0.277969% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.489514109190608 (0.121121% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.487056111950032 (0.0447863% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.486204983973703 (0.0155128% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.485739009583408 (0.00849393% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.485576060149544 (0.00297046% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.485498517235779 (0.00141359% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.485469772634513 (0.000524012% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.485462046450184 (0.000140848% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.485459952535456 (3.81721e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.485459325302672 (1.14345e-05% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.485459175740716 (2.72652e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.485459100856724 (4.07767e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.485459090161553 (1.94973e-07% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.485459083892644 (1.14282e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.48545908155655 (4.2587e-08% change)
linmin: converged after 21 iterations.
iteration 18: trace = 5.485459080639288 (1.67217e-08% change)
linmin: converged after 7 iterations.
iteration 19: trace = 5.485459080258165 (6.94787e-09% change)
linmin: converged after 16 iterations.
iteration 20: trace = 5.485459080162864 (1.73733e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 5.485459080117769 (8.22091e-10% change)
linmin: converged after 9 iterations.
iteration 22: trace = 5.485459080098437 (3.52424e-10% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.485459080091236 (1.31265e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.485459080087868 (6.14144e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
elapsed time for k point: 0.19527244567871094
solve_kpoint (0.4,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.518147023687826 (0.240192% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.511306601556041 (0.124039% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.507821987771088 (0.0632466% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.506156809285562 (0.0302375% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.505014443433688 (0.0207492% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.50461574266735 (0.00724276% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.504452843728521 (0.00295936% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.504400792831478 (0.000945619% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.504383084534792 (0.000321712% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.504375542715215 (0.000137015% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.504370385450912 (9.36939e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.504366787323702 (6.53686e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 5.504364129496825 (4.82858e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.504362897098131 (2.23895e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.504362429759299 (8.49034e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.504362239277651 (3.46056e-06% change)
linmin: converged after 15 iterations.
iteration 17: trace = 5.504362167575554 (1.30264e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.504362121909912 (8.29626e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.504362102222045 (3.57678e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.504362095716736 (1.18185e-07% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.504362093490909 (4.04375e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.504362092750759 (1.34466e-08% change)
linmin: converged after 26 iterations.
iteration 23: trace = 5.504362092362587 (7.05207e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.504362092126028 (4.29767e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.504362092030182 (1.74127e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.504362091995302 (6.33673e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.504362091984242 (2.0094e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
elapsed time for k point: 0.22985100746154785
solve_kpoint (0.5,0,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.568069373829442 (0.237536% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.559193679627401 (0.159531% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.553720061373692 (0.0985091% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.550289343180826 (0.0617924% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.547642553185535 (0.0476988% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.546434996605714 (0.0217694% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.545492367570179 (0.0169967% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.544438112743789 (0.0190128% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.542899533684986 (0.0277538% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.541163952442362 (0.0313167% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.539949116714967 (0.0219262% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.53937833426003 (0.0103036% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.539089347190007 (0.00521709% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538953243693587 (0.00245718% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.538903646652963 (0.000895427% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.538883460689274 (0.00036444% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.538874617647886 (0.000159654% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.538870014294877 (8.31099e-05% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.538868744327798 (2.29283e-05% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.538868254295126 (8.84716e-06% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.538867707344403 (3.99262e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.53886753076535 (3.188e-06% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.538867392460339 (2.49699e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.538867282536028 (1.9846e-06% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.538867196566462 (1.55211e-06% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.538867107786956 (1.60285e-06% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.538866990688633 (2.11412e-06% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.538866904154682 (1.5623e-06% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.538866877340717 (4.84106e-07% change)
linmin: converged after 2 iterations.
iteration 31: trace = 5.5388668710361 (1.13825e-07% change)
linmin: converged after 3 iterations.
iteration 32: trace = 5.538866869549472 (2.68399e-08% change)
linmin: converged after 16 iterations.
iteration 33: trace = 5.538866869090048 (8.29454e-09% change)
linmin: converged after 2 iterations.
iteration 34: trace = 5.538866868883961 (3.72075e-09% change)
linmin: converged after 6 iterations.
iteration 35: trace = 5.538866868762705 (2.18918e-09% change)
linmin: converged after 3 iterations.
iteration 36: trace = 5.53886686869322 (1.2545e-09% change)
linmin: converged after 9 iterations.
iteration 37: trace = 5.538866868641617 (9.31656e-10% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.538866868615266 (4.75754e-10% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.538866868605688 (1.7291e-10% change)
linmin: converged after 4 iterations.
iteration 40: trace = 5.538866868600137 (1.00221e-10% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.538866868590852 (1.67634e-10% change)
linmin: converged after 3 iterations.
iteration 42: trace = 5.538866868573518 (3.12963e-10% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.538866868559318 (2.56358e-10% change)
linmin: converged after 14 iterations.
iteration 44: trace = 5.538866868553965 (9.66452e-11% change)
Finished solving for bands 1 to 8 after 44 iterations.
tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
elapsed time for k point: 0.3541686534881592
solve_kpoint (0.5,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.490847033722721 (1.61896% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.441600081934133 (0.900932% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.429126780894521 (0.229484% change)
linmin: converged after 3 iterations.
iteration 4: trace = 5.423934922737031 (0.0956755% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.421565451084571 (0.043695% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.420537496869433 (0.0189623% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.42007975703143 (0.0084449% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.419922055599827 (0.00290962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.419861802792409 (0.0011117% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.419827885109805 (0.000625805% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.419810483680845 (0.00032107% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.419802182901285 (0.000153156% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.419798984057768 (5.90214e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.419798149677877 (1.5395e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.419797850965193 (5.51151e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.419797772322976 (1.45102e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.419797748546827 (4.38691e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.419797738573569 (1.84015e-07% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.419797735608469 (5.47087e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.419797734089029 (2.8035e-08% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.419797733507783 (1.07245e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.419797733261664 (4.54112e-09% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.419797733151186 (2.03841e-09% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 5.419797733054172 (4.21425e-10% change)
linmin: converged after 12 iterations.
iteration 27: trace = 5.419797733031985 (4.09364e-10% change)
linmin: converged after 7 iterations.
iteration 28: trace = 5.419797733016721 (2.81638e-10% change)
linmin: converged after 2 iterations.
iteration 29: trace = 5.419797733003431 (2.45209e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 5.41979773298945 (2.57975e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.41979773297386 (2.87636e-10% change)
linmin: converged after 2 iterations.
iteration 32: trace = 5.419797732963331 (1.94276e-10% change)
linmin: converged after 14 iterations.
iteration 33: trace = 5.419797732958394 (9.1099e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
elapsed time for k point: 0.5219194889068604
solve_kpoint (0.5,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.256818585094162 (0.493447% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.245516345170468 (0.215233% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.242859628577863 (0.0506602% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.241807773568184 (0.0200646% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.241214212212074 (0.0113242% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.241004235879623 (0.00400633% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.240908449573092 (0.00182765% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.240871741597354 (0.000700415% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.240860283765804 (0.000218625% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.240855477877275 (9.17004e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.240854364699072 (2.12404e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.240854047786498 (6.04696e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.240853968321853 (1.51625e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.24085395074316 (6.91047e-08% change)
linmin: converged after 27 iterations.
iteration 16: trace = 5.240853949555021 (2.26707e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.240853949179423 (7.16674e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.240853949031688 (2.8189e-09% change)
linmin: converged after 6 iterations.
iteration 19: trace = 5.240853948976923 (1.04496e-09% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.240853948939868 (7.07054e-10% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.240853948883504 (1.07547e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 5.240853948833736 (9.4962e-10% change)
linmin: converged after 18 iterations.
iteration 23: trace = 5.240853948802548 (5.95084e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.240853948778211 (4.6437e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.240853948757243 (4.0009e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 5.240853948742305 (2.85035e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.240853948735853 (1.23105e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.240853948733916 (3.69619e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
elapsed time for k point: 0.6059749126434326
solve_kpoint (0.5,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.10247298491282 (0.252117% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.098134061052821 (0.0850719% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.097086787866127 (0.0205444% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.096768814833581 (0.00623852% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.096616721986505 (0.00298415% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.096573167031528 (0.000854589% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.096556387466498 (0.000329233% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.096548105120984 (0.000162509% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.096545531978204 (5.0488e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.09654455014369 (1.92647e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.096544277659976 (2.58582e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.096544274637562 (5.93032e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.096544273956445 (1.33643e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.096544273766987 (3.71739e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.096544273707476 (1.16767e-09% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.096544273672401 (6.88212e-10% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.096544273621829 (9.9228e-10% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.096544273547276 (1.46281e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.096544273463899 (1.63595e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.096544273426185 (7.40006e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.096544273414491 (2.29445e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.09654427341062 (7.59472e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
elapsed time for k point: 0.34990739822387695
solve_kpoint (0.5,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.010057945910257 (0.187174% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.007389306962008 (0.0532798% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.006708599252311 (0.013595% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.006529313190496 (0.00358098% change)
linmin: converged after 7 iterations.
iteration 5: trace = 5.006460294301304 (0.00137859% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.006443503180209 (0.00033539% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.006439503863523 (7.98834e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.00643760634509 (3.79016e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.006436969310692 (1.27243e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.006436638672481 (6.60426e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.0064365391388 (1.98811e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.006436508297353 (6.16036e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.006436499318636 (1.79343e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.006436497214727 (4.20241e-08% change)
linmin: converged after 23 iterations.
iteration 15: trace = 5.006436496812785 (8.02851e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 5.006436496713429 (1.98455e-09% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.006436496673625 (7.95069e-10% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.006436496632912 (8.13217e-10% change)
large trace change predicted (2.20203e-09%)
linmin: converged after 3 iterations.
iteration 19: trace = 5.006436496522669 (2.20201e-09% change)
linmin: converged after 6 iterations.
iteration 20: trace = 5.006436496410068 (2.24913e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.00643649635725 (1.05499e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.006436496344439 (2.55892e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.006436496341392 (6.08684e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
elapsed time for k point: 0.1836848258972168
solve_kpoint (0.5,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.978993750426394 (0.165173% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.976790350140194 (0.0442637% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.976199668873644 (0.0118694% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.976051201931979 (0.00298359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.9759992053625 (0.00104494% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.975987153191778 (0.000242206% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.975985115125865 (4.0958e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.975984462449346 (1.31165e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.975984347964303 (2.30075e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.97598430121141 (9.39571e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.975984281705355 (3.92004e-07% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.975984271802616 (1.99011e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.975984267495481 (8.65585e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.975984265893695 (5.4035e-09% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.975984265819602 (1.48901e-09% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.975984265774336 (9.0969e-10% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.975984265706849 (1.35626e-09% change)
large trace change predicted (3.48832e-09%)
linmin: converged after 2 iterations.
iteration 19: trace = 4.975984265533266 (3.48841e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 4.975984265426864 (2.13831e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.975984265393333 (6.73865e-10% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.975984265384497 (1.77565e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.975984265381787 (5.44582e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
elapsed time for k point: 0.3541238307952881
solve_kpoint (0.4,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.042733647627272 (0.320838% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.038219694839757 (0.0895541% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.036942796212955 (0.0253475% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.036564344352509 (0.00751381% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.036422962550608 (0.00280715% change)
linmin: converged after 6 iterations.
iteration 6: trace = 5.036388281602306 (0.000688605% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.036381725959926 (0.000130166% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.036379322251286 (4.77269e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.036378780323868 (1.07603e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.036378497300833 (1.27317e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.036378484106184 (2.61987e-07% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.036378480911196 (6.34382e-08% change)
linmin: converged after 30 iterations.
iteration 14: trace = 5.036378480128369 (1.55435e-08% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.036378479954638 (3.44953e-09% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.036378479909366 (8.98887e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.036378479898021 (2.25273e-10% change)
linmin: converged after 16 iterations.
iteration 18: trace = 5.036378479895265 (5.47222e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
elapsed time for k point: 0.14539074897766113
solve_kpoint (0.3,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.219132352168817 (0.375945% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.211330254319178 (0.149602% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.208582459516231 (0.0527412% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.20740719111832 (0.0225666% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.206822251347192 (0.0112335% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.206658183445574 (0.00315107% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.206604831487709 (0.00102469% change)
linmin: converged after 6 iterations.
iteration 8: trace = 5.206579319181462 (0.00049% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.20657139421153 (0.000152211% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.206567821670568 (6.8616e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.206566333737291 (1.95434e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.206566313192128 (3.94601e-07% change)
linmin: converged after 6 iterations.
iteration 15: trace = 5.206566308082147 (9.81449e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.206566305927628 (2.16219e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.206566305900049 (5.29693e-10% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.206566305893735 (1.21271e-10% change)
linmin: converged after 5 iterations.
iteration 21: trace = 5.206566305891685 (3.93717e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
elapsed time for k point: 0.16890621185302734
solve_kpoint (0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.468255756300327 (0.622033% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.443223812749443 (0.458819% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.431408622421224 (0.217298% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.424242356553044 (0.132028% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.419937630971101 (0.0793924% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.418538990855422 (0.0258088% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.41785772333391 (0.0125737% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.417473338575128 (0.00709503% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.417269129397945 (0.00376953% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.417145557811468 (0.00228109% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.417106189895424 (0.000726731% change)
linmin: converged after 3 iterations.
iteration 12: trace = 5.417094578169103 (0.000214353% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.417090464906998 (7.59312e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.417088991729025 (7.93815e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.41708885820765 (2.46482e-06% change)
linmin: converged after 21 iterations.
iteration 17: trace = 5.417088812132393 (8.50554e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.417088788744924 (4.31735e-07% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.417088776389863 (2.28076e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.417088770680246 (1.054e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.417088768321163 (4.35489e-08% change)
linmin: converged after 21 iterations.
iteration 22: trace = 5.417088767370204 (1.75548e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.417088766928416 (8.15547e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.417088766681355 (4.56077e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 5.417088766554595 (2.33998e-09% change)
linmin: converged after 9 iterations.
iteration 26: trace = 5.417088766462991 (1.69104e-09% change)
linmin: converged after 3 iterations.
iteration 27: trace = 5.417088766423708 (7.25156e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.417088766412556 (2.05866e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.417088766409226 (6.14845e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
elapsed time for k point: 0.4462764263153076
solve_kpoint (0.1,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.600203178992942 (1.22609% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.54949890238194 (0.909518% change)
linmin: converged after 7 iterations.
iteration 3: trace = 5.534363640712009 (0.273104% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.527272903139394 (0.128204% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.524129966094115 (0.0568785% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.523244061864359 (0.0160383% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.522921055230325 (0.0058483% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.522756882390533 (0.00297262% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.522649699671239 (0.00194077% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.52254069646429 (0.00197377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.522446530191868 (0.00170514% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.522358366928774 (0.00159647% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.522300787120916 (0.00104267% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.522279640463562 (0.000382933% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.522271218167742 (0.000152515% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.522268619549806 (4.70571e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.522267958291888 (1.19744e-05% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.522267758808152 (3.61235e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.522267691563167 (1.21771e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.522267667643991 (4.3314e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.522267656937725 (1.93874e-07% change)
linmin: converged after 18 iterations.
iteration 22: trace = 5.522267653032028 (7.07263e-08% change)
linmin: converged after 22 iterations.
iteration 23: trace = 5.522267650434996 (4.70284e-08% change)
linmin: converged after 17 iterations.
iteration 24: trace = 5.522267648929227 (2.72672e-08% change)
linmin: converged after 7 iterations.
iteration 25: trace = 5.522267648122262 (1.46129e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.522267647457964 (1.20294e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.522267646822531 (1.15067e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.522267646290373 (9.63659e-09% change)
linmin: converged after 7 iterations.
iteration 29: trace = 5.522267645965349 (5.88569e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.522267645803383 (2.93295e-09% change)
linmin: converged after 8 iterations.
iteration 31: trace = 5.522267645716783 (1.5682e-09% change)
linmin: converged after 12 iterations.
iteration 32: trace = 5.52226764567925 (6.79676e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 5.522267645667596 (2.11033e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 5.522267645664736 (5.17891e-11% change)
Finished solving for bands 1 to 8 after 34 iterations.
tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
elapsed time for k point: 0.26995420455932617
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 5.623415343689584 (0.88056% change)
linmin: converged after 5 iterations.
iteration 2: trace = 5.591482468798356 (0.569472% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.580951640938904 (0.188514% change)
linmin: converged after 5 iterations.
iteration 4: trace = 5.575083172740608 (0.105207% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.571618736262284 (0.0621607% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.570324107766295 (0.0232388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.569686885895645 (0.0114402% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.56946065641691 (0.00406188% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.569345938947366 (0.00205978% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.569289951397795 (0.00100529% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.5692568807753 (0.000593805% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.569207664427222 (0.000883719% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.569133502528049 (0.00133165% change)
large trace change predicted (0.00839774%)
linmin: converged after 6 iterations.
iteration 14: trace = 5.568684283158857 (0.00806656% change)
near maximum in trace
linmin: converged after 8 iterations.
iteration 15: trace = 5.566399673345931 (0.0410344% change)
linmin: converged after 5 iterations.
iteration 16: trace = 5.565541201869147 (0.0154236% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.564709389094751 (0.0149469% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.563783785139663 (0.0166348% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.562668008808352 (0.0200563% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.561318637790889 (0.0242606% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.559813631246596 (0.0270657% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.558314618713583 (0.0269652% change)
linmin: converged after 10 iterations.
iteration 23: trace = 5.556960245069321 (0.0243696% change)
linmin: converged after 13 iterations.
iteration 24: trace = 5.555789586225054 (0.0210688% change)
linmin: converged after 5 iterations.
iteration 25: trace = 5.55479872055854 (0.0178364% change)
linmin: converged after 4 iterations.
iteration 26: trace = 5.553994113747302 (0.0144859% change)
linmin: converged after 4 iterations.
iteration 27: trace = 5.553376035493455 (0.0111292% change)
linmin: converged after 4 iterations.
iteration 28: trace = 5.552913676504293 (0.00832607% change)
linmin: converged after 4 iterations.
iteration 29: trace = 5.552555837785826 (0.00644437% change)
linmin: converged after 4 iterations.
iteration 30: trace = 5.552254969621722 (0.0054187% change)
linmin: converged after 4 iterations.
iteration 31: trace = 5.551980060557256 (0.00495143% change)
linmin: converged after 4 iterations.
iteration 32: trace = 5.551718956583287 (0.00470301% change)
linmin: converged after 4 iterations.
iteration 33: trace = 5.551473590067667 (0.00441975% change)
linmin: converged after 4 iterations.
iteration 34: trace = 5.551249526417464 (0.00403619% change)
linmin: converged after 4 iterations.
iteration 35: trace = 5.551047677046615 (0.00363617% change)
linmin: converged after 4 iterations.
iteration 36: trace = 5.550864324825069 (0.00330307% change)
linmin: converged after 4 iterations.
iteration 37: trace = 5.550695188730021 (0.00304707% change)
linmin: converged after 3 iterations.
iteration 38: trace = 5.550537717614253 (0.002837% change)
linmin: converged after 3 iterations.
iteration 39: trace = 5.550390744693352 (0.00264794% change)
linmin: converged after 3 iterations.
iteration 40: trace = 5.550253430259206 (0.00247399% change)
linmin: converged after 3 iterations.
iteration 41: trace = 5.550124903241969 (0.00231572% change)
linmin: converged after 4 iterations.
iteration 42: trace = 5.550004421559369 (0.00217082% change)
linmin: converged after 3 iterations.
iteration 43: trace = 5.549891461428066 (0.00203534% change)
linmin: converged after 3 iterations.
iteration 44: trace = 5.549785756475371 (0.00190465% change)
linmin: converged after 3 iterations.
iteration 45: trace = 5.549687477092357 (0.00177088% change)
linmin: converged after 3 iterations.
iteration 46: trace = 5.549597231059002 (0.00162616% change)
linmin: converged after 3 iterations.
iteration 47: trace = 5.549515437514302 (0.00147388% change)
linmin: converged after 3 iterations.
iteration 48: trace = 5.549441430505917 (0.00133358% change)
linmin: converged after 3 iterations.
iteration 49: trace = 5.549373300133808 (0.00122771% change)
linmin: converged after 3 iterations.
iteration 50: trace = 5.549308831509652 (0.00116173% change)
linmin: converged after 3 iterations.
iteration 51: trace = 5.549246789252495 (0.00111802% change)
linmin: converged after 3 iterations.
iteration 52: trace = 5.549187392702872 (0.00107036% change)
linmin: converged after 3 iterations.
iteration 53: trace = 5.549131424282619 (0.00100859% change)
linmin: converged after 3 iterations.
iteration 54: trace = 5.549078953950442 (0.000945564% change)
linmin: converged after 3 iterations.
iteration 55: trace = 5.549029214246225 (0.000896364% change)
linmin: converged after 3 iterations.
iteration 56: trace = 5.54898160326973 (0.000858009% change)
linmin: converged after 3 iterations.
iteration 57: trace = 5.54893644131103 (0.000813882% change)
linmin: converged after 3 iterations.
iteration 58: trace = 5.548894438355841 (0.000756958% change)
linmin: converged after 3 iterations.
iteration 59: trace = 5.54885547219858 (0.000702235% change)
linmin: converged after 3 iterations.
iteration 60: trace = 5.548818214181233 (0.000671456% change)
linmin: converged after 3 iterations.
iteration 61: trace = 5.548780940356195 (0.000671746% change)
linmin: converged after 4 iterations.
iteration 62: trace = 5.548742718995132 (0.000688827% change)
linmin: converged after 3 iterations.
iteration 63: trace = 5.548704069980684 (0.000696539% change)
linmin: converged after 3 iterations.
iteration 64: trace = 5.548666460443484 (0.00067781% change)
linmin: converged after 3 iterations.
iteration 65: trace = 5.548631157812784 (0.000636238% change)
linmin: converged after 3 iterations.
iteration 66: trace = 5.548598782737487 (0.00058348% change)
linmin: converged after 3 iterations.
iteration 67: trace = 5.548569723773046 (0.000523719% change)
linmin: converged after 4 iterations.
iteration 68: trace = 5.548544403250723 (0.000456344% change)
linmin: converged after 5 iterations.
iteration 69: trace = 5.54852291959788 (0.000387195% change)
resetting CG direction...
large trace change predicted (0.00347725%)
linmin: converged after 5 iterations.
iteration 70: trace = 5.548329976694497 (0.00347743% change)
linmin: converged after 8 iterations.
iteration 71: trace = 5.548232222528725 (0.00176188% change)
linmin: converged after 4 iterations.
iteration 72: trace = 5.548180081080814 (0.000939789% change)
linmin: converged after 5 iterations.
iteration 73: trace = 5.548158373786155 (0.000391251% change)
linmin: converged after 4 iterations.
iteration 74: trace = 5.548148375773417 (0.000180204% change)
linmin: converged after 3 iterations.
iteration 75: trace = 5.548144673473507 (6.67304e-05% change)
linmin: converged after 3 iterations.
iteration 76: trace = 5.548141864891512 (5.0622e-05% change)
linmin: converged after 3 iterations.
iteration 77: trace = 5.548138837044793 (5.45741e-05% change)
linmin: converged after 3 iterations.
iteration 78: trace = 5.548134589429233 (7.65593e-05% change)
linmin: converged after 4 iterations.
iteration 79: trace = 5.548128746381331 (0.000105316% change)
linmin: converged after 4 iterations.
iteration 80: trace = 5.548123649319518 (9.187e-05% change)
linmin: converged after 4 iterations.
iteration 81: trace = 5.548120939113862 (4.88491e-05% change)
linmin: converged after 6 iterations.
iteration 82: trace = 5.548119009802553 (3.47741e-05% change)
linmin: converged after 3 iterations.
iteration 83: trace = 5.548118262534253 (1.34689e-05% change)
linmin: converged after 5 iterations.
iteration 84: trace = 5.548117907881999 (6.3923e-06% change)
linmin: converged after 2 iterations.
iteration 85: trace = 5.54811780201584 (1.90815e-06% change)
linmin: converged after 2 iterations.
iteration 86: trace = 5.54811774168687 (1.08738e-06% change)
linmin: converged after 3 iterations.
iteration 87: trace = 5.548117729428171 (2.20952e-07% change)
linmin: converged after 27 iterations.
iteration 88: trace = 5.548117726415593 (5.42991e-08% change)
linmin: converged after 15 iterations.
iteration 89: trace = 5.548117725588878 (1.49008e-08% change)
linmin: converged after 2 iterations.
iteration 90: trace = 5.548117725372818 (3.89429e-09% change)
linmin: converged after 6 iterations.
iteration 91: trace = 5.548117725334787 (6.85474e-10% change)
linmin: converged after 15 iterations.
iteration 92: trace = 5.548117725327039 (1.39659e-10% change)
linmin: converged after 3 iterations.
iteration 93: trace = 5.548117725324989 (3.6948e-11% change)
Finished solving for bands 2 to 8 after 93 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
elapsed time for k point: 1.5800175666809082
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489916 at Vector3<0.5, 0.5, 0.0>
Band 2 range: 0.441588449722544 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160883 at Vector3<0.5, 0.5, 0.0>
Band 3 range: 0.5931535863117827 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069757 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6791690130757012 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677109 at Vector3<0.3, 0.3, 0.0>
Band 5 range: 0.8241814443502193 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855863 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.881977091666068 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650219 at Vector3<0.5, 0.0, 0.0>
Band 7 range: 0.881981813442184 at Vector3<0.5, 0.5, 0.0> to 1.0860729323594138 at Vector3<0.5, 0.0, 0.0>
Band 8 range: 1.087868963505269 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556937 at Vector3<0.5, 0.5, 0.0>
Gap from band 2 (0.5931405141160883) to band 3 (0.5931535863117827), 0.0022038709776519383%
Gap from band 4 (0.8096891551677109) to band 5 (0.8241814443502193), 1.7739824912431081%
Gap from band 7 (1.0860729323594138) to band 8 (1.087868963505269), 0.16523267243449186%
total elapsed time for run: 7.024634122848511
done
epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill"
.Outputting /tmp/meepNmMUdV/test_subpixel_averaging-0-epsilon.h5...
/tmp/meepNmMUdV/test_subpixel_averaging-0: 7.04s
/tmp/meepNmMUdV/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: 0.1342623233795166
solve_kpoint (0.5,0.5,0.5):
freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6
Solving for bands 1 to 6...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 15.74018598579247 (195.749% change)
linmin: converged after 9 iterations.
iteration 2: trace = 3.090147276233743 (134.358% change)
linmin: converged after 6 iterations.
iteration 3: trace = 2.397523720697594 (25.2429% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.145761074543338 (11.0828% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.068316051370426 (3.67554% change)
linmin: converged after 8 iterations.
iteration 6: trace = 2.048480958527553 (0.963618% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.043452743746898 (0.245762% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.041240675579469 (0.10831% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.040708177313777 (0.0260904% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.04046661825746 (0.0118377% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.040385065978462 (0.00399683% change)
linmin: converged after 5 iterations.
iteration 12: trace = 2.04035411128717 (0.00151711% change)
linmin: converged after 5 iterations.
iteration 13: trace = 2.040341169825733 (0.000634277% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.040337077970399 (0.000200548% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.040336153622544 (4.53037e-05% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.040335806340868 (1.70208e-05% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.040335710845975 (4.68035e-06% change)
linmin: converged after 16 iterations.
iteration 18: trace = 2.040335672642782 (1.8724e-06% change)
linmin: converged after 7 iterations.
iteration 19: trace = 2.040335654413311 (8.93455e-07% change)
linmin: converged after 5 iterations.
iteration 20: trace = 2.040335648243751 (3.0238e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 2.040335646291804 (9.56679e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.040335645616527 (3.30964e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 2.040335645457562 (7.79111e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 2.040335645416267 (2.02393e-09% change)
linmin: converged after 8 iterations.
iteration 25: trace = 2.04033564540416 (5.93393e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 2.040335645401662 (1.22453e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 2.04033564540094 (3.53907e-11% change)
Finished solving for bands 1 to 6 after 27 iterations.
freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491
elapsed time for k point: 13.731375932693481
total elapsed time for run: 13.865839958190918
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: 0.13262677192687988
solve_kpoint (0,0,0):
zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6
Solving for bands 2 to 6...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 18.95589239481535 (193.84% change)
linmin: converged after 12 iterations.
iteration 2: trace = 4.039421326965929 (129.735% change)
linmin: converged after 5 iterations.
iteration 3: trace = 3.237031641771011 (22.0544% change)
linmin: converged after 7 iterations.
iteration 4: trace = 2.981724017015067 (8.21089% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.778779921662621 (7.04605% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.649264413471263 (4.77209% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.552598023165622 (3.71661% change)
linmin: converged after 6 iterations.
iteration 8: trace = 2.499992242115593 (2.08233% change)
linmin: converged after 6 iterations.
iteration 9: trace = 2.481050506315762 (0.760553% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.473183610582626 (0.317583% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.470951871990919 (0.0902782% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.470390583895059 (0.022718% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.470176090620014 (0.00868294% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.470105989373043 (0.00283795% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.470088975297645 (0.000688802% change)
linmin: converged after 3 iterations.
iteration 16: trace = 2.470086848276996 (8.61111e-05% change)
linmin: converged after 6 iterations.
iteration 17: trace = 2.47008672638708 (4.93464e-06% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.470086678531696 (1.9374e-06% change)
linmin: converged after 4 iterations.
iteration 19: trace = 2.470086646747163 (1.28678e-06% change)
linmin: converged after 8 iterations.
iteration 20: trace = 2.470086621328254 (1.02907e-06% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.470086599230556 (8.94612e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.470086579159212 (8.12577e-07% change)
linmin: converged after 7 iterations.
iteration 23: trace = 2.470086560435123 (7.58034e-07% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.470086542626183 (7.20984e-07% change)
linmin: converged after 5 iterations.
iteration 25: trace = 2.470086525398654 (6.97446e-07% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.470086508443809 (6.86407e-07% change)
linmin: converged after 6 iterations.
iteration 27: trace = 2.470086491432143 (6.88707e-07% change)
linmin: converged after 3 iterations.
iteration 28: trace = 2.47008647397101 (7.06904e-07% change)
linmin: converged after 6 iterations.
iteration 29: trace = 2.470086455551511 (7.45703e-07% change)
linmin: converged after 5 iterations.
iteration 30: trace = 2.470086435461984 (8.13313e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.470086412632984 (9.24219e-07% change)
linmin: converged after 4 iterations.
iteration 32: trace = 2.470086385334097 (1.10518e-06% change)
linmin: converged after 4 iterations.
iteration 33: trace = 2.47008635057863 (1.40705e-06% change)
linmin: converged after 5 iterations.
iteration 34: trace = 2.470086303711516 (1.89739e-06% change)
linmin: converged after 8 iterations.
iteration 35: trace = 2.470086256803579 (1.89904e-06% change)
linmin: converged after 5 iterations.
iteration 36: trace = 2.470086237769363 (7.70589e-07% change)
linmin: converged after 4 iterations.
iteration 37: trace = 2.470086227711356 (4.07193e-07% change)
linmin: converged after 4 iterations.
iteration 38: trace = 2.470086220769943 (2.81019e-07% change)
linmin: converged after 4 iterations.
iteration 39: trace = 2.470086215312814 (2.20929e-07% change)
linmin: converged after 5 iterations.
iteration 40: trace = 2.47008621070389 (1.8659e-07% change)
linmin: converged after 10 iterations.
iteration 41: trace = 2.470086206637609 (1.64621e-07% change)
linmin: converged after 8 iterations.
iteration 42: trace = 2.470086202945004 (1.49493e-07% change)
linmin: converged after 6 iterations.
iteration 43: trace = 2.470086199523805 (1.38505e-07% change)
linmin: converged after 3 iterations.
iteration 44: trace = 2.470086196306478 (1.30252e-07% change)
linmin: converged after 7 iterations.
iteration 45: trace = 2.470086193246965 (1.23863e-07% change)
linmin: converged after 5 iterations.
iteration 46: trace = 2.47008619031146 (1.18842e-07% change)
linmin: converged after 7 iterations.
iteration 47: trace = 2.470086187474285 (1.14861e-07% change)
linmin: converged after 5 iterations.
iteration 48: trace = 2.470086184715303 (1.11696e-07% change)
linmin: converged after 4 iterations.
iteration 49: trace = 2.470086182017748 (1.09209e-07% change)
linmin: converged after 4 iterations.
iteration 50: trace = 2.4700861793676 (1.0729e-07% change)
linmin: converged after 4 iterations.
iteration 51: trace = 2.470086176752158 (1.05885e-07% change)
linmin: converged after 7 iterations.
iteration 52: trace = 2.470086174160272 (1.04931e-07% change)
linmin: converged after 4 iterations.
iteration 53: trace = 2.470086171580697 (1.04433e-07% change)
linmin: converged after 5 iterations.
iteration 54: trace = 2.47008616900311 (1.04352e-07% change)
linmin: converged after 3 iterations.
iteration 55: trace = 2.470086166416666 (1.04711e-07% change)
linmin: converged after 6 iterations.
iteration 56: trace = 2.470086163810144 (1.05524e-07% change)
linmin: converged after 7 iterations.
iteration 57: trace = 2.470086161171722 (1.06815e-07% change)
linmin: converged after 6 iterations.
iteration 58: trace = 2.470086158488299 (1.08637e-07% change)
linmin: converged after 6 iterations.
iteration 59: trace = 2.470086155745301 (1.11049e-07% change)
linmin: converged after 5 iterations.
iteration 60: trace = 2.470086152925971 (1.14139e-07% change)
linmin: converged after 9 iterations.
iteration 61: trace = 2.470086150010644 (1.18025e-07% change)
linmin: converged after 6 iterations.
iteration 62: trace = 2.470086146975617 (1.22871e-07% change)
linmin: converged after 4 iterations.
iteration 63: trace = 2.470086143792007 (1.28887e-07% change)
linmin: converged after 4 iterations.
iteration 64: trace = 2.470086140422467 (1.36414e-07% change)
linmin: converged after 4 iterations.
iteration 65: trace = 2.470086136818574 (1.45901e-07% change)
linmin: converged after 4 iterations.
iteration 66: trace = 2.470086132913965 (1.58076e-07% change)
linmin: converged after 3 iterations.
iteration 67: trace = 2.470086128613795 (1.7409e-07% change)
linmin: converged after 5 iterations.
iteration 68: trace = 2.470086123775036 (1.95894e-07% change)
linmin: converged after 4 iterations.
iteration 69: trace = 2.470086118170339 (2.26903e-07% change)
resetting CG direction...
large trace change predicted (5.08617e-06%)
linmin: converged after 6 iterations.
iteration 70: trace = 2.4700859924031 (5.09161e-06% change)
linmin: converged after 4 iterations.
iteration 71: trace = 2.470085917449085 (3.03447e-06% change)
linmin: converged after 9 iterations.
iteration 72: trace = 2.470085857051608 (2.44516e-06% change)
linmin: converged after 3 iterations.
iteration 73: trace = 2.470085794433866 (2.53504e-06% change)
linmin: converged after 4 iterations.
iteration 74: trace = 2.47008568465571 (4.44431e-06% change)
linmin: converged after 4 iterations.
iteration 75: trace = 2.470085666271439 (7.44277e-07% change)
linmin: converged after 5 iterations.
iteration 76: trace = 2.470085659656401 (2.67806e-07% change)
linmin: converged after 4 iterations.
iteration 77: trace = 2.470085656851762 (1.13544e-07% change)
linmin: converged after 11 iterations.
iteration 78: trace = 2.470085655578595 (5.15434e-08% change)
linmin: converged after 13 iterations.
iteration 79: trace = 2.470085654979452 (2.42559e-08% change)
linmin: converged after 8 iterations.
iteration 80: trace = 2.470085654691839 (1.16438e-08% change)
linmin: converged after 7 iterations.
iteration 81: trace = 2.470085654552126 (5.65621e-09% change)
linmin: converged after 4 iterations.
iteration 82: trace = 2.470085654484016 (2.75741e-09% change)
linmin: converged after 4 iterations.
iteration 83: trace = 2.470085654450713 (1.34822e-09% change)
linmin: converged after 6 iterations.
iteration 84: trace = 2.470085654434439 (6.58847e-10% change)
linmin: converged after 4 iterations.
iteration 85: trace = 2.470085654426459 (3.23059e-10% change)
linmin: converged after 4 iterations.
iteration 86: trace = 2.470085654422856 (1.45861e-10% change)
linmin: converged after 3 iterations.
iteration 87: trace = 2.470085654421001 (7.5115e-11% change)
Finished solving for bands 2 to 6 after 87 iterations.
zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492
elapsed time for k point: 33.46141743659973
total elapsed time for run: 33.59427332878113
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: 0.25812244415283203
solve_kpoint (0,0,0):
zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6
Solving for bands 2 to 6...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 18.02221847556455 (194.149% change)
linmin: converged after 12 iterations.
iteration 2: trace = 3.363324203114518 (137.092% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.753285428763886 (19.947% change)
linmin: converged after 7 iterations.
iteration 4: trace = 2.542376250784825 (7.96536% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.460265280306857 (3.2827% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.396838326976526 (2.61172% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.342633507615576 (2.28738% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.31389728125012 (1.23423% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.300812929609132 (0.567071% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.296327307679614 (0.195148% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.294758109431983 (0.0683585% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.294135222392094 (0.0271476% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.293938668029893 (0.00856806% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.293826788588994 (0.0048773% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.293758588338955 (0.00297325% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.293694194409696 (0.00280739% change)
linmin: converged after 11 iterations.
iteration 17: trace = 2.293618199025478 (0.00331329% change)
linmin: converged after 4 iterations.
iteration 18: trace = 2.293528069880244 (0.00392964% change)
linmin: converged after 5 iterations.
iteration 19: trace = 2.293451007229581 (0.00336006% change)
linmin: converged after 6 iterations.
iteration 20: trace = 2.29340643253423 (0.00194358% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.293384561761906 (0.000953642% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.293373743492525 (0.000471717% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.293370474412943 (0.000142545% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.293369520041892 (4.16144e-05% change)
linmin: converged after 5 iterations.
iteration 25: trace = 2.293369112325264 (1.77781e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 2.293368934280699 (7.76345e-06% change)
linmin: converged after 15 iterations.
iteration 27: trace = 2.293368844736082 (3.9045e-06% change)
linmin: converged after 8 iterations.
iteration 28: trace = 2.29336882107163 (1.03186e-06% change)
linmin: converged after 4 iterations.
iteration 29: trace = 2.293368820579976 (2.14381e-08% change)
linmin: converged after 4 iterations.
iteration 30: trace = 2.293368820562555 (7.59613e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 2.293368820561557 (4.35304e-11% change)
Finished solving for bands 2 to 6 after 31 iterations.
zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416
.elapsed time for k point: 13.89600396156311
total elapsed time for run: 14.154361724853516
done
/tmp/meepNmMUdV/test_symmetry_overlap-0: 63.10s
/tmp/meepNmMUdV/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: 0.17731451988220215
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 13.34289714972896 (194.943% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.883288708168697 (77.5984% change)
linmin: converged after 5 iterations.
iteration 3: trace = 5.044755956652264 (15.3464% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.759186801709498 (5.8256% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.648502384223161 (2.35306% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.573735188935817 (1.62145% change)
linmin: converged after 7 iterations.
iteration 7: trace = 4.525096086376154 (1.06913% change)
linmin: converged after 7 iterations.
iteration 8: trace = 4.490878663187896 (0.75904% change)
linmin: converged after 9 iterations.
iteration 9: trace = 4.471972673158289 (0.421874% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.463100096502802 (0.198601% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.457774835855679 (0.119389% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.455553733636298 (0.0498378% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.454264949858802 (0.0289295% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.45362856803677 (0.014288% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.453292324411064 (0.00755017% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.453169254637681 (0.00276361% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.45312419833384 (0.00101179% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.453097708544562 (0.00059486% change)
linmin: converged after 5 iterations.
iteration 19: trace = 4.453064686036353 (0.000741565% change)
large trace change predicted (0.00167871%)
linmin: converged after 8 iterations.
iteration 20: trace = 4.452989908418393 (0.00167925% change)
large trace change predicted (0.00355348%)
linmin: converged after 11 iterations.
iteration 21: trace = 4.452831698851194 (0.00355295% change)
linmin: converged after 5 iterations.
iteration 22: trace = 4.452615931161866 (0.00484575% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.452445091443117 (0.00383691% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.452296186459317 (0.0033444% change)
linmin: converged after 5 iterations.
iteration 25: trace = 4.45214480792432 (0.00340007% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.452028010939461 (0.00262342% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.451974702506442 (0.0011974% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.451958340678137 (0.000367519% change)
linmin: converged after 4 iterations.
iteration 29: trace = 4.451953421811336 (0.000110488% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.451951355109325 (4.64224e-05% change)
linmin: converged after 5 iterations.
iteration 31: trace = 4.451950388859546 (2.1704e-05% change)
linmin: converged after 4 iterations.
iteration 32: trace = 4.451949935125477 (1.01918e-05% change)
linmin: converged after 14 iterations.
iteration 33: trace = 4.45194972165554 (4.79498e-06% change)
linmin: converged after 2 iterations.
iteration 34: trace = 4.451949638045011 (1.87807e-06% change)
linmin: converged after 4 iterations.
iteration 35: trace = 4.451949603091682 (7.85124e-07% change)
linmin: converged after 6 iterations.
iteration 36: trace = 4.451949587125897 (3.58625e-07% change)
linmin: converged after 4 iterations.
iteration 37: trace = 4.451949578415249 (1.95659e-07% change)
linmin: converged after 2 iterations.
iteration 38: trace = 4.451949573498261 (1.10446e-07% change)
linmin: converged after 2 iterations.
iteration 39: trace = 4.451949570787714 (6.08845e-08% change)
linmin: converged after 2 iterations.
iteration 40: trace = 4.451949569044144 (3.91642e-08% change)
linmin: converged after 4 iterations.
iteration 41: trace = 4.451949566781069 (5.08333e-08% change)
linmin: converged after 4 iterations.
iteration 42: trace = 4.451949562368261 (9.91208e-08% change)
large trace change predicted (2.08754e-07%)
linmin: converged after 2 iterations.
iteration 43: trace = 4.451949553074643 (2.08754e-07% change)
linmin: converged after 4 iterations.
iteration 44: trace = 4.451949540843133 (2.74745e-07% change)
linmin: converged after 3 iterations.
iteration 45: trace = 4.451949529999723 (2.43565e-07% change)
linmin: converged after 2 iterations.
iteration 46: trace = 4.451949523238113 (1.5188e-07% change)
linmin: converged after 3 iterations.
iteration 47: trace = 4.451949519159018 (9.16249e-08% change)
linmin: converged after 2 iterations.
iteration 48: trace = 4.451949516240802 (6.55492e-08% change)
linmin: converged after 2 iterations.
iteration 49: trace = 4.451949514432187 (4.06252e-08% change)
linmin: converged after 11 iterations.
iteration 50: trace = 4.45194951368181 (1.6855e-08% change)
linmin: converged after 4 iterations.
iteration 51: trace = 4.451949513453068 (5.13803e-09% change)
linmin: converged after 9 iterations.
iteration 52: trace = 4.451949513392954 (1.35028e-09% change)
linmin: converged after 3 iterations.
iteration 53: trace = 4.451949513373073 (4.46568e-10% change)
linmin: converged after 3 iterations.
iteration 54: trace = 4.451949513363684 (2.10895e-10% change)
linmin: converged after 5 iterations.
iteration 55: trace = 4.451949513358432 (1.17966e-10% change)
linmin: converged after 15 iterations.
iteration 56: trace = 4.451949513355893 (5.7038e-11% change)
Finished solving for bands 2 to 8 after 56 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116
elapsed time for k point: 0.8427112102508545
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.475944467108932 (0.531645% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.470049557613261 (0.131789% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.468237947812556 (0.0405359% change)
linmin: converged after 3 iterations.
iteration 4: trace = 4.467329142654912 (0.0203413% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.466696419469301 (0.0141643% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.46626734957484 (0.00960644% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.465882292089019 (0.00862183% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.465603095642135 (0.00625196% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.465254970967649 (0.007796% change)
large trace change predicted (0.015835%)
linmin: converged after 3 iterations.
iteration 10: trace = 4.464548380125286 (0.0158255% change)
large trace change predicted (0.0385932%)
linmin: converged after 6 iterations.
iteration 11: trace = 4.462859568880448 (0.0378343% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.460811970312608 (0.0458914% change)
linmin: converged after 6 iterations.
iteration 13: trace = 4.459584283500496 (0.0275254% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.459118661375987 (0.0104415% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.458964421206439 (0.00345904% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.458929960321749 (0.000772848% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.458912092725232 (0.000400716% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.458904032331692 (0.000180771% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.458899161072777 (0.000109248% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.45889701734218 (4.80776e-05% change)
linmin: converged after 6 iterations.
iteration 21: trace = 4.458895960746618 (2.36963e-05% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.458895419244479 (1.21443e-05% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.45889508627689 (7.46749e-06% change)
linmin: converged after 6 iterations.
iteration 24: trace = 4.458894672869514 (9.27152e-06% change)
linmin: converged after 5 iterations.
iteration 25: trace = 4.458893966779284 (1.58355e-05% change)
linmin: converged after 6 iterations.
iteration 26: trace = 4.458892812033712 (2.58976e-05% change)
linmin: converged after 6 iterations.
iteration 27: trace = 4.458891509286135 (2.92168e-05% change)
linmin: converged after 5 iterations.
iteration 28: trace = 4.458890473613544 (2.32271e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 4.458889874545141 (1.34354e-05% change)
linmin: converged after 6 iterations.
iteration 30: trace = 4.458889622685401 (5.64849e-06% change)
linmin: converged after 2 iterations.
iteration 31: trace = 4.458889526435814 (2.1586e-06% change)
linmin: converged after 16 iterations.
iteration 32: trace = 4.458889488492766 (8.50953e-07% change)
linmin: converged after 3 iterations.
iteration 33: trace = 4.458889473720185 (3.31306e-07% change)
linmin: converged after 22 iterations.
iteration 34: trace = 4.458889468163909 (1.24611e-07% change)
linmin: converged after 4 iterations.
iteration 35: trace = 4.458889466116761 (4.59116e-08% change)
linmin: converged after 12 iterations.
iteration 36: trace = 4.458889465242297 (1.96117e-08% change)
linmin: converged after 4 iterations.
iteration 37: trace = 4.458889464752254 (1.09903e-08% change)
linmin: converged after 18 iterations.
iteration 38: trace = 4.458889464463208 (6.48245e-09% change)
linmin: converged after 3 iterations.
iteration 39: trace = 4.458889464280381 (4.10028e-09% change)
linmin: converged after 9 iterations.
iteration 40: trace = 4.458889464100642 (4.03102e-09% change)
linmin: converged after 12 iterations.
iteration 41: trace = 4.458889463833446 (5.99245e-09% change)
linmin: converged after 9 iterations.
iteration 42: trace = 4.458889463451237 (8.57182e-09% change)
linmin: converged after 4 iterations.
iteration 43: trace = 4.458889462992349 (1.02916e-08% change)
linmin: converged after 10 iterations.
iteration 44: trace = 4.458889462497355 (1.11013e-08% change)
linmin: converged after 7 iterations.
iteration 45: trace = 4.458889462139591 (8.02362e-09% change)
linmin: converged after 5 iterations.
iteration 46: trace = 4.458889461932948 (4.6344e-09% change)
linmin: converged after 3 iterations.
iteration 47: trace = 4.458889461821263 (2.50477e-09% change)
linmin: converged after 15 iterations.
iteration 48: trace = 4.458889461773397 (1.07349e-09% change)
linmin: converged after 4 iterations.
iteration 49: trace = 4.458889461754989 (4.12847e-10% change)
linmin: converged after 3 iterations.
iteration 50: trace = 4.458889461749082 (1.32483e-10% change)
linmin: converged after 4 iterations.
iteration 51: trace = 4.458889461747205 (4.20894e-11% change)
Finished solving for bands 1 to 8 after 51 iterations.
tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546
elapsed time for k point: 1.7897045612335205
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.492158134810435 (0.545791% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.485756356469138 (0.142612% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.483597723197324 (0.0481335% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.482688838961172 (0.0202734% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.482289052226116 (0.00891886% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.482111886541759 (0.00395265% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.481989042620977 (0.0027408% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.481900761944479 (0.0019697% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.481819566983678 (0.00181164% change)
linmin: converged after 11 iterations.
iteration 10: trace = 4.481727172835286 (0.00206155% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.481640274020497 (0.00193898% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.481586984826245 (0.00118906% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.481566235482783 (0.000462992% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.481558614049639 (0.000170062% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.481555960259469 (5.92158e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.481555115788884 (1.88432e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.481554758617261 (7.96981e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.481554675435285 (1.8561e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.481554649662213 (5.75092e-07% change)
linmin: converged after 20 iterations.
iteration 20: trace = 4.481554642967496 (1.49384e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.481554640848132 (4.72908e-08% change)
linmin: converged after 26 iterations.
iteration 22: trace = 4.481554640163115 (1.52853e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.481554639855192 (6.87089e-09% change)
linmin: converged after 2 iterations.
iteration 24: trace = 4.481554639686864 (3.75603e-09% change)
linmin: converged after 7 iterations.
iteration 25: trace = 4.481554639614042 (1.62492e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.481554639589966 (5.37221e-10% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.4815546395829 (1.57656e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 4.481554639580312 (5.77512e-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: 0.34413933753967285
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.543019728981382 (0.515577% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.537380948824323 (0.124197% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.535410322887141 (0.0434403% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.534688093374426 (0.0159255% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.534407372581668 (0.00619071% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.534314483914038 (0.00204855% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.534272775349741 (0.000919847% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.534256408390616 (0.000360962% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.534250296428544 (0.000134795% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.534247094429912 (7.06181e-05% change)
linmin: converged after 6 iterations.
iteration 11: trace = 4.534244850399139 (4.94907e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.534242751424729 (4.62916e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.534241209054217 (3.40161e-05% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.534240295109208 (2.01565e-05% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.534239883207023 (9.08426e-06% change)
linmin: converged after 10 iterations.
iteration 16: trace = 4.53423965965363 (4.93034e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.534239494917928 (3.63315e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.534239415265824 (1.75668e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.534239379667379 (7.85103e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.534239370364448 (2.05171e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.534239368024672 (5.16024e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.534239367497577 (1.16248e-08% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.534239367336919 (3.54322e-09% change)
linmin: converged after 10 iterations.
iteration 24: trace = 4.534239367284073 (1.16548e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 4.534239367267453 (3.66535e-10% change)
linmin: converged after 7 iterations.
iteration 26: trace = 4.534239367261494 (1.31437e-10% change)
linmin: converged after 5 iterations.
iteration 27: trace = 4.534239367259114 (5.24769e-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: 0.8834168910980225
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.621404992370209 (0.557147% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.614041347481714 (0.159465% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.610477696476134 (0.0772648% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.608710813620799 (0.0383306% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.607863233753939 (0.0183925% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.607531544209546 (0.0071986% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.607374227313989 (0.0034144% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.607318349688435 (0.00121279% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.607296971210599 (0.000464012% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.607286359308265 (0.000230328% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.607280058156947 (0.000136765% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.607276056852193 (8.68475e-05% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.607274338045313 (3.73064e-05% change)
linmin: converged after 14 iterations.
iteration 14: trace = 4.607273686828396 (1.41345e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.607273491056637 (4.24919e-06% change)
linmin: converged after 8 iterations.
iteration 16: trace = 4.607273423326331 (1.47007e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.607273396454911 (5.83239e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.607273383999481 (2.70343e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.607273373222249 (2.33918e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.607273363837924 (2.03685e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.607273356409602 (1.6123e-07% change)
linmin: converged after 32 iterations.
iteration 22: trace = 4.607273352713722 (8.02184e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.607273351035138 (3.64334e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.607273350488992 (1.1854e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 4.607273350318334 (3.7041e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.607273350261742 (1.2283e-09% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.607273350235109 (5.78082e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 4.607273350217994 (3.71463e-10% change)
linmin: converged after 4 iterations.
iteration 29: trace = 4.607273350209258 (1.89616e-10% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.607273350205852 (7.39302e-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: 1.0738492012023926
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.692438286161613 (0.712878% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.678587559242676 (0.295607% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.669219826084261 (0.200426% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.662995938248581 (0.133385% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.6593821617716 (0.0775291% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.657411795582307 (0.0422971% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.656216146534482 (0.0256753% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.655574406991427 (0.0137834% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.655148468919919 (0.00914941% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.654836684042397 (0.00669786% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.654665296959227 (0.00368198% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.654604621969535 (0.00130354% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.654589608102686 (0.00032256% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.654585491988867 (8.84313e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.65458439175692 (2.36376e-05% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.654584007912184 (8.2466e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.654583872099502 (2.91783e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.654583818003206 (1.16222e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.654583786952055 (6.67109e-07% change)
linmin: converged after 6 iterations.
iteration 20: trace = 4.65458376878888 (3.90221e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.654583758229818 (2.26853e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.654583754130688 (8.80665e-08% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.654583752195757 (4.15704e-08% change)
linmin: converged after 9 iterations.
iteration 24: trace = 4.654583750968563 (2.63653e-08% change)
linmin: converged after 21 iterations.
iteration 25: trace = 4.654583749955053 (2.17745e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.654583749144853 (1.74065e-08% change)
linmin: converged after 11 iterations.
iteration 27: trace = 4.654583748504248 (1.37629e-08% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.65458374816155 (7.36258e-09% change)
linmin: converged after 3 iterations.
iteration 29: trace = 4.654583748037949 (2.65546e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.654583747984038 (1.15825e-09% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.654583747952652 (6.74294e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 4.654583747932771 (4.27146e-10% change)
linmin: converged after 5 iterations.
iteration 33: trace = 4.654583747920531 (2.62947e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 4.654583747914252 (1.34908e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 4.654583747911475 (5.96688e-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: 0.45288610458374023
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.663405538594725 (0.126187% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.661028794315087 (0.0509788% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.659462455612632 (0.0336106% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.658444596655599 (0.0218474% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.658018186979143 (0.0091539% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.657889867112118 (0.00275485% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.657833401920476 (0.00121226% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.657812047553699 (0.000458462% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.657804893687841 (0.000153589% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.657803287529443 (3.44832e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.657802747123325 (1.16022e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.657802583154826 (3.5203e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.657802512506777 (1.51677e-06% change)
linmin: converged after 19 iterations.
iteration 14: trace = 4.657802482770913 (6.3841e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.657802459850049 (4.92096e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.657802440944289 (4.05894e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.657802424135102 (3.60882e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.657802413141312 (2.3603e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.65780240822683 (1.05511e-07% change)
linmin: converged after 22 iterations.
iteration 20: trace = 4.657802405927216 (4.93712e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.657802404388955 (3.30254e-08% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.657802403523622 (1.85782e-08% change)
linmin: converged after 5 iterations.
iteration 23: trace = 4.657802403119729 (8.67132e-09% change)
linmin: converged after 18 iterations.
iteration 24: trace = 4.657802402939372 (3.87215e-09% change)
linmin: converged after 12 iterations.
iteration 25: trace = 4.657802402884993 (1.16748e-09% change)
linmin: converged after 6 iterations.
iteration 26: trace = 4.657802402867802 (3.69092e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 4.65780240286291 (1.05011e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 4.657802402861527 (2.96898e-11% change)
Finished solving for bands 1 to 8 after 28 iterations.
tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796
elapsed time for k point: 0.5289201736450195
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.672735728063688 (0.129732% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.670213935693525 (0.0539828% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.668592631121893 (0.0347219% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.667637099610609 (0.0204693% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.667264545138631 (0.00798197% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.667162918369607 (0.00217746% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.66712129730869 (0.000891789% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.667105889509807 (0.000330136% change)
linmin: converged after 6 iterations.
iteration 9: trace = 4.667099608686656 (0.000134576% change)
linmin: converged after 7 iterations.
iteration 10: trace = 4.667097710975093 (4.06615e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.667096867241733 (1.80783e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.667096564921129 (6.4777e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.667096423536293 (3.0294e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.667096341918425 (1.74879e-06% change)
linmin: converged after 17 iterations.
iteration 15: trace = 4.667096252444979 (1.91711e-06% change)
linmin: converged after 9 iterations.
iteration 16: trace = 4.667096174501552 (1.67006e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.667096128228557 (9.91473e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.667096109588009 (3.99404e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.667096103668014 (1.26845e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.667096101434466 (4.78573e-08% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.667096100309837 (2.4097e-08% change)
linmin: converged after 5 iterations.
iteration 22: trace = 4.667096099663393 (1.38511e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.667096099284748 (8.11307e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.667096099089914 (4.17464e-09% change)
linmin: converged after 5 iterations.
iteration 25: trace = 4.667096099007754 (1.76041e-09% change)
linmin: converged after 2 iterations.
iteration 26: trace = 4.667096098964766 (9.21083e-10% change)
linmin: converged after 2 iterations.
iteration 27: trace = 4.667096098939575 (5.39766e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 4.667096098919733 (4.25145e-10% change)
linmin: converged after 9 iterations.
iteration 29: trace = 4.667096098902281 (3.73933e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 4.667096098892163 (2.16797e-10% change)
linmin: converged after 6 iterations.
iteration 31: trace = 4.667096098888664 (7.49617e-11% change)
Finished solving for bands 1 to 8 after 31 iterations.
tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792
elapsed time for k point: 1.8972735404968262
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.687244093033342 (0.138258% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.68450112164867 (0.058537% change)
linmin: converged after 10 iterations.
iteration 3: trace = 4.682869930578359 (0.0348271% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.682034068317738 (0.017851% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.681730640009381 (0.0064809% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.681655106921975 (0.00161337% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.681629472566017 (0.000547551% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.681621443725679 (0.000171497% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.681618077223716 (7.19089e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.681616737997851 (2.86061e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.681615858546173 (1.87852e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.681615429378753 (9.16708e-06% change)
linmin: converged after 8 iterations.
iteration 13: trace = 4.681615194362259 (5.01999e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.681615039712025 (3.30335e-06% change)
linmin: converged after 13 iterations.
iteration 15: trace = 4.681614869242011 (3.64127e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 4.681614726230269 (3.05475e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.681614658041394 (1.45652e-06% change)
linmin: converged after 10 iterations.
iteration 18: trace = 4.681614630400899 (5.90405e-07% change)
linmin: converged after 37 iterations.
iteration 19: trace = 4.681614620951699 (2.01836e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.681614615856844 (1.08827e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.681614612123169 (7.97519e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.681614608813798 (7.06887e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 4.681614606613888 (4.69904e-08% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.681614605684864 (1.98441e-08% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.681614605285613 (8.52805e-09% change)
linmin: converged after 2 iterations.
iteration 26: trace = 4.681614605099327 (3.97911e-09% change)
linmin: converged after 13 iterations.
iteration 27: trace = 4.681614605024984 (1.58798e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.681614605000402 (5.25059e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 4.681614604988976 (2.4407e-10% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.681614604983469 (1.17624e-10% change)
linmin: converged after 5 iterations.
iteration 31: trace = 4.681614604980835 (5.62698e-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: 1.3643600940704346
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.70568345023703 (0.150475% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.70269396740059 (0.0635494% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.701070860686399 (0.0345204% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.700326710702802 (0.0158306% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.700066397545958 (0.00553835% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.699999664101608 (0.00141985% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.69997861695964 (0.000447813% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.699972034549861 (0.000140052% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.699969000631697 (6.45519e-05% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.699967170930496 (3.89301e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.699965319407529 (3.93944e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.699964030427122 (2.74253e-05% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.699963193699963 (1.78028e-05% change)
linmin: converged after 3 iterations.
iteration 14: trace = 4.699962560785234 (1.34664e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.699961832691105 (1.54915e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.699961225600818 (1.29169e-05% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.699960906583683 (6.78765e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.699960737235767 (3.60318e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.699960644725966 (1.96831e-06% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.699960592889884 (1.1029e-06% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.699960564066775 (6.13263e-07% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.699960551853536 (2.59858e-07% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.699960547235489 (9.82571e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 4.699960545971042 (2.69034e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 4.699960545396197 (1.22308e-08% change)
linmin: converged after 6 iterations.
iteration 26: trace = 4.699960545062297 (7.10432e-09% change)
linmin: converged after 17 iterations.
iteration 27: trace = 4.699960544894045 (3.57986e-09% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.699960544831157 (1.33806e-09% change)
linmin: converged after 5 iterations.
iteration 29: trace = 4.699960544805093 (5.54549e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 4.699960544792843 (2.60654e-10% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.699960544786452 (1.35968e-10% change)
linmin: converged after 3 iterations.
iteration 32: trace = 4.699960544782281 (8.8743e-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: 0.5547711849212646
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.726091835507038 (0.165622% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.722802797494285 (0.0696174% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.721109191088566 (0.0358666% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.720325201511085 (0.0166074% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.720028727993002 (0.00628098% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.719918630348108 (0.00233259% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.719865321786559 (0.00112944% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.719831657791466 (0.000713243% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.71980741335668 (0.000513673% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.719790508683225 (0.000358165% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.719779814606032 (0.00022658% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.719770348474322 (0.000200563% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.719756280309134 (0.000298069% change)
large trace change predicted (0.000793235%)
linmin: converged after 5 iterations.
iteration 14: trace = 4.719718876296014 (0.000792502% change)
large trace change predicted (0.00173209%)
linmin: converged after 4 iterations.
iteration 15: trace = 4.719637476239666 (0.0017247% change)
linmin: converged after 10 iterations.
iteration 16: trace = 4.719538716018454 (0.00209256% change)
linmin: converged after 7 iterations.
iteration 17: trace = 4.719446199525518 (0.00196031% change)
linmin: converged after 5 iterations.
iteration 18: trace = 4.719342067174776 (0.00220648% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.719250145666389 (0.00194778% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.719204779903466 (0.000961296% change)
linmin: converged after 3 iterations.
iteration 21: trace = 4.719181996965342 (0.000482772% change)
linmin: converged after 3 iterations.
iteration 22: trace = 4.719173491797492 (0.000180226% change)
linmin: converged after 3 iterations.
iteration 23: trace = 4.719169509310038 (8.43895e-05% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.719167458937708 (4.34477e-05% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.719165917312441 (3.26673e-05% change)
linmin: converged after 4 iterations.
iteration 26: trace = 4.719165107645221 (1.7157e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 4.719164862214758 (5.20072e-06% change)
linmin: converged after 24 iterations.
iteration 28: trace = 4.719164785195745 (1.63205e-06% change)
linmin: converged after 6 iterations.
iteration 29: trace = 4.719164760925828 (5.14284e-07% change)
linmin: converged after 2 iterations.
iteration 30: trace = 4.719164750431597 (2.22375e-07% change)
linmin: converged after 4 iterations.
iteration 31: trace = 4.719164743983883 (1.36628e-07% change)
linmin: converged after 2 iterations.
iteration 32: trace = 4.719164738003482 (1.26726e-07% change)
linmin: converged after 2 iterations.
iteration 33: trace = 4.719164732535467 (1.15868e-07% change)
linmin: converged after 3 iterations.
iteration 34: trace = 4.719164729193493 (7.08171e-08% change)
linmin: converged after 2 iterations.
iteration 35: trace = 4.719164727749883 (3.05904e-08% change)
linmin: converged after 2 iterations.
iteration 36: trace = 4.719164727251705 (1.05565e-08% change)
linmin: converged after 2 iterations.
iteration 37: trace = 4.719164726985723 (5.63621e-09% change)
linmin: converged after 2 iterations.
iteration 38: trace = 4.719164726837792 (3.1347e-09% change)
linmin: converged after 12 iterations.
iteration 39: trace = 4.719164726708735 (2.73474e-09% change)
linmin: converged after 7 iterations.
iteration 40: trace = 4.719164726550141 (3.36064e-09% change)
linmin: converged after 5 iterations.
iteration 41: trace = 4.719164726298249 (5.33764e-09% change)
linmin: converged after 6 iterations.
iteration 42: trace = 4.71916472585322 (9.43025e-09% change)
linmin: converged after 4 iterations.
iteration 43: trace = 4.719164725066964 (1.66609e-08% change)
linmin: converged after 4 iterations.
iteration 44: trace = 4.719164723722669 (2.84859e-08% change)
linmin: converged after 23 iterations.
iteration 45: trace = 4.719164722420009 (2.76036e-08% change)
linmin: converged after 9 iterations.
iteration 46: trace = 4.719164721562645 (1.81677e-08% change)
linmin: converged after 29 iterations.
iteration 47: trace = 4.719164720988552 (1.21652e-08% change)
linmin: converged after 5 iterations.
iteration 48: trace = 4.71916472062323 (7.74124e-09% change)
linmin: converged after 18 iterations.
iteration 49: trace = 4.719164720382047 (5.11072e-09% change)
linmin: converged after 2 iterations.
iteration 50: trace = 4.719164720281921 (2.12167e-09% change)
linmin: converged after 4 iterations.
iteration 51: trace = 4.719164720241513 (8.56265e-10% change)
linmin: converged after 6 iterations.
iteration 52: trace = 4.719164720225399 (3.41463e-10% change)
linmin: converged after 3 iterations.
iteration 53: trace = 4.719164720218769 (1.40477e-10% change)
linmin: converged after 3 iterations.
iteration 54: trace = 4.71916472021603 (5.80429e-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: 1.3722400665283203
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.692944379891523 (0.970793% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.672476472561108 (0.437095% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.661345041477657 (0.238518% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.656898551843586 (0.0954362% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.655008764237149 (0.0405886% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.654399336080442 (0.0130927% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.654116590781353 (0.00607498% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.654018455428288 (0.00210859% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.653979714231328 (0.000832428% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.653965914128123 (0.000296523% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.653960270293195 (0.000121269% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.653958279342811 (4.27797e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.653957534859742 (1.59968e-05% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.653957210162043 (6.97681e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 4.653957025852098 (3.96028e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.653956928560724 (2.09051e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.653956875769934 (1.13432e-06% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.653956841201479 (7.42776e-07% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.653956819085471 (4.75209e-07% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.65395680993506 (1.96616e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.653956806517484 (7.34338e-08% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.653956805199019 (2.833e-08% change)
linmin: converged after 12 iterations.
iteration 23: trace = 4.653956804663054 (1.15163e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.65395680436798 (6.34029e-09% change)
linmin: converged after 15 iterations.
iteration 25: trace = 4.653956804189203 (3.8414e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 4.653956804095573 (2.01184e-09% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.653956804061928 (7.22935e-10% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.653956804052052 (2.12218e-10% change)
linmin: converged after 16 iterations.
iteration 29: trace = 4.653956804049414 (5.66806e-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: 0.44144320487976074
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.588920978579226 (0.874534% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.575249860620828 (0.29836% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.569227615780713 (0.131713% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.567129923727054 (0.0459197% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.566231478753193 (0.0196739% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.565933792276808 (0.00651952% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.5658031334063 (0.00286164% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.565757220078056 (0.0010056% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.565743625954828 (0.000297741% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.565739612896301 (8.7895e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.565738200055287 (3.09444e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 4.565737746810891 (9.92708e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.565737597483526 (3.27061e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.565737552537143 (9.84428e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.565737539290493 (2.90132e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.565737535646703 (7.98072e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 4.565737534603482 (2.28489e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.565737534315073 (6.31682e-09% change)
linmin: converged after 9 iterations.
iteration 19: trace = 4.565737534206801 (2.37139e-09% change)
linmin: converged after 9 iterations.
iteration 20: trace = 4.56573753414394 (1.37679e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.565737534100022 (9.61898e-10% change)
linmin: converged after 4 iterations.
iteration 22: trace = 4.565737534070951 (6.3674e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.565737534052835 (3.96766e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.565737534041939 (2.38651e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 4.56573753403582 (1.34013e-10% change)
linmin: converged after 2 iterations.
iteration 26: trace = 4.565737534032807 (6.60044e-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: 0.25237321853637695
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.508620212892166 (0.753199% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.499716957737281 (0.197667% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.49666086179896 (0.0679406% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.49574651623554 (0.0203359% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.495430397031109 (0.00703176% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.495345271640709 (0.00189362% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.495315544672334 (0.000661286% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.495303649148999 (0.000264621% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.495300564167787 (6.86268e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.495299803160996 (1.69289e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.495299629871562 (3.8549e-06% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.495299593694355 (8.04779e-07% change)
linmin: converged after 12 iterations.
iteration 13: trace = 4.495299585129779 (1.90523e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.495299582963901 (4.8181e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.49529958214405 (1.8238e-08% change)
linmin: converged after 13 iterations.
iteration 16: trace = 4.495299581549299 (1.32305e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 4.495299580823787 (1.61393e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.495299579922 (2.00607e-08% change)
linmin: converged after 3 iterations.
iteration 19: trace = 4.495299579325446 (1.32706e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.495299579065505 (5.7825e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 4.495299578960951 (2.32584e-09% change)
linmin: converged after 12 iterations.
iteration 22: trace = 4.495299578913846 (1.04788e-09% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.495299578893935 (4.42933e-10% change)
linmin: converged after 3 iterations.
iteration 24: trace = 4.495299578886664 (1.61738e-10% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.495299578884341 (5.16868e-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: 0.8026299476623535
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.473866004790167 (0.70844% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.466337931879858 (0.168409% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.464014970093421 (0.052024% change)
linmin: converged after 3 iterations.
iteration 4: trace = 4.463224313439671 (0.0177134% change)
linmin: converged after 3 iterations.
iteration 5: trace = 4.462870601137229 (0.00792535% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.462724153332439 (0.00328152% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.462635338597384 (0.00199017% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.462589776727746 (0.00102097% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.46257610200297 (0.000306431% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.462571864667398 (9.49527e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.462570546979986 (2.95275e-05% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.462570139814225 (9.12402e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.46257001088653 (2.88909e-06% change)
linmin: converged after 9 iterations.
iteration 14: trace = 4.462569981202175 (6.65185e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.46256997059049 (2.37793e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 4.462569966989745 (8.06877e-08% change)
linmin: converged after 30 iterations.
iteration 17: trace = 4.462569964422014 (5.75393e-08% change)
linmin: converged after 7 iterations.
iteration 18: trace = 4.462569961021072 (7.62104e-08% change)
large trace change predicted (1.59484e-07%)
linmin: converged after 4 iterations.
iteration 19: trace = 4.462569953904013 (1.59483e-07% change)
linmin: converged after 9 iterations.
iteration 20: trace = 4.462569943683237 (2.29033e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.46256993460952 (2.03329e-07% change)
linmin: converged after 2 iterations.
iteration 22: trace = 4.462569927927915 (1.49725e-07% change)
linmin: converged after 4 iterations.
iteration 23: trace = 4.462569924053907 (8.68111e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.462569921863489 (4.90842e-08% change)
linmin: converged after 4 iterations.
iteration 25: trace = 4.462569921105944 (1.69755e-08% change)
linmin: converged after 17 iterations.
iteration 26: trace = 4.462569920846197 (5.82057e-09% change)
linmin: converged after 9 iterations.
iteration 27: trace = 4.462569920755987 (2.02147e-09% change)
linmin: converged after 10 iterations.
iteration 28: trace = 4.462569920708033 (1.07459e-09% change)
linmin: converged after 9 iterations.
iteration 29: trace = 4.462569920679466 (6.40135e-10% change)
linmin: converged after 5 iterations.
iteration 30: trace = 4.462569920665278 (3.17948e-10% change)
linmin: converged after 6 iterations.
iteration 31: trace = 4.462569920661402 (8.6856e-11% change)
Finished solving for bands 1 to 8 after 31 iterations.
tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423
elapsed time for k point: 0.5997085571289062
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.478658555603234 (0.729587% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.469039616061645 (0.215004% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.465022814409098 (0.0899211% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.46209968314416 (0.0654888% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.46004739838343 (0.0460043% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.459144908738708 (0.020237% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.458741257123237 (0.00905263% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.458626601085457 (0.00257152% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.45859630990237 (0.000679386% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.458587755438534 (0.000191865% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.458585207924873 (5.71372e-05% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.458584490013369 (1.61018e-05% change)
linmin: converged after 20 iterations.
iteration 13: trace = 4.458584277334642 (4.7701e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.458584200805816 (1.71644e-06% change)
linmin: converged after 7 iterations.
iteration 15: trace = 4.458584152120324 (1.09195e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.45858413346214 (4.18478e-07% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.458584124789168 (1.94523e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 4.45858411809343 (1.50176e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 4.458584108089051 (2.24385e-07% change)
linmin: converged after 2 iterations.
iteration 20: trace = 4.458584093759836 (3.21385e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 4.458584070134995 (5.29873e-07% change)
large trace change predicted (1.49557e-06%)
linmin: converged after 18 iterations.
iteration 22: trace = 4.458584003453497 (1.49558e-06% change)
large trace change predicted (5.07375e-06%)
linmin: converged after 3 iterations.
iteration 23: trace = 4.458583777244648 (5.07356e-06% change)
near maximum in trace
linmin: converged after 14 iterations.
iteration 24: trace = 4.458459758258259 (0.00278162% change)
linmin: converged after 8 iterations.
iteration 25: trace = 4.458458093271729 (3.73444e-05% change)
linmin: converged after 5 iterations.
iteration 26: trace = 4.458456431479314 (3.72728e-05% change)
linmin: converged after 4 iterations.
iteration 27: trace = 4.458454776914217 (3.71107e-05% change)
linmin: converged after 4 iterations.
iteration 28: trace = 4.458453129860116 (3.69423e-05% change)
linmin: converged after 7 iterations.
iteration 29: trace = 4.458451488445268 (3.68158e-05% change)
linmin: converged after 4 iterations.
iteration 30: trace = 4.458449849656692 (3.67569e-05% change)
linmin: converged after 5 iterations.
iteration 31: trace = 4.458448209945043 (3.67776e-05% change)
linmin: converged after 7 iterations.
iteration 32: trace = 4.458446565570727 (3.68822e-05% change)
linmin: converged after 6 iterations.
iteration 33: trace = 4.458444912795196 (3.70707e-05% change)
linmin: converged after 6 iterations.
iteration 34: trace = 4.458443247983713 (3.73406e-05% change)
linmin: converged after 5 iterations.
iteration 35: trace = 4.458441567658865 (3.76886e-05% change)
linmin: converged after 6 iterations.
iteration 36: trace = 4.458439868528528 (3.81104e-05% change)
linmin: converged after 6 iterations.
iteration 37: trace = 4.458438147500575 (3.86016e-05% change)
linmin: converged after 13 iterations.
iteration 38: trace = 4.458436401699788 (3.91572e-05% change)
linmin: converged after 8 iterations.
iteration 39: trace = 4.458434628472027 (3.97724e-05% change)
linmin: converged after 9 iterations.
iteration 40: trace = 4.458432825407581 (4.04417e-05% change)
linmin: converged after 4 iterations.
iteration 41: trace = 4.458430990355236 (4.11591e-05% change)
linmin: converged after 4 iterations.
iteration 42: trace = 4.458429121450291 (4.19185e-05% change)
linmin: converged after 10 iterations.
iteration 43: trace = 4.458427217142107 (4.27125e-05% change)
linmin: converged after 6 iterations.
iteration 44: trace = 4.458425276228057 (4.35336e-05% change)
linmin: converged after 6 iterations.
iteration 45: trace = 4.458423297905146 (4.43727e-05% change)
linmin: converged after 5 iterations.
iteration 46: trace = 4.458421281761492 (4.5221e-05% change)
linmin: converged after 5 iterations.
iteration 47: trace = 4.458419227817391 (4.60689e-05% change)
linmin: converged after 5 iterations.
iteration 48: trace = 4.458417136633884 (4.69042e-05% change)
linmin: converged after 7 iterations.
iteration 49: trace = 4.458415009253079 (4.77161e-05% change)
linmin: converged after 12 iterations.
iteration 50: trace = 4.458412847235103 (4.8493e-05% change)
linmin: converged after 9 iterations.
iteration 51: trace = 4.45841065266303 (4.92232e-05% change)
linmin: converged after 5 iterations.
iteration 52: trace = 4.458408428168314 (4.98944e-05% change)
linmin: converged after 4 iterations.
iteration 53: trace = 4.458406176651217 (5.05005e-05% change)
linmin: converged after 5 iterations.
iteration 54: trace = 4.458403901626262 (5.10278e-05% change)
linmin: converged after 11 iterations.
iteration 55: trace = 4.458401606872811 (5.14703e-05% change)
linmin: converged after 7 iterations.
iteration 56: trace = 4.458399296427462 (5.18223e-05% change)
linmin: converged after 9 iterations.
iteration 57: trace = 4.45839697445953 (5.20808e-05% change)
linmin: converged after 4 iterations.
iteration 58: trace = 4.45839464521191 (5.22441e-05% change)
linmin: converged after 7 iterations.
iteration 59: trace = 4.45839231287166 (5.23135e-05% change)
linmin: converged after 5 iterations.
iteration 60: trace = 4.458389981481892 (5.22922e-05% change)
linmin: converged after 6 iterations.
iteration 61: trace = 4.458387654857571 (5.21853e-05% change)
linmin: converged after 7 iterations.
iteration 62: trace = 4.458385336515951 (5.19996e-05% change)
linmin: converged after 9 iterations.
iteration 63: trace = 4.458383029624313 (5.17428e-05% change)
linmin: converged after 5 iterations.
iteration 64: trace = 4.458380736965614 (5.14236e-05% change)
linmin: converged after 5 iterations.
iteration 65: trace = 4.458378460921876 (5.10509e-05% change)
linmin: converged after 10 iterations.
iteration 66: trace = 4.458376203473506 (5.06339e-05% change)
linmin: converged after 7 iterations.
iteration 67: trace = 4.458373966212359 (5.01811e-05% change)
linmin: converged after 9 iterations.
iteration 68: trace = 4.458371750365546 (4.97008e-05% change)
linmin: converged after 6 iterations.
iteration 69: trace = 4.458369556863608 (4.91996e-05% change)
resetting CG direction...
large trace change predicted (0.0705969%)
linmin: converged after 3 iterations.
iteration 70: trace = 4.455218417331746 (0.0707042% change)
linmin: converged after 3 iterations.
iteration 71: trace = 4.454076296259893 (0.0256389% change)
linmin: converged after 3 iterations.
iteration 72: trace = 4.453233406692878 (0.0189258% change)
linmin: converged after 3 iterations.
iteration 73: trace = 4.452750380913497 (0.0108472% change)
linmin: converged after 3 iterations.
iteration 74: trace = 4.452486222085326 (0.00593266% change)
linmin: converged after 3 iterations.
iteration 75: trace = 4.452381354921903 (0.00235528% change)
linmin: converged after 3 iterations.
iteration 76: trace = 4.452332142006135 (0.00110532% change)
linmin: converged after 3 iterations.
iteration 77: trace = 4.452312681237569 (0.000437093% change)
linmin: converged after 3 iterations.
iteration 78: trace = 4.452300708973491 (0.0002689% change)
linmin: converged after 3 iterations.
iteration 79: trace = 4.452288392860877 (0.000276624% change)
linmin: converged after 3 iterations.
iteration 80: trace = 4.45227280294268 (0.000350156% change)
linmin: converged after 4 iterations.
iteration 81: trace = 4.452249230430278 (0.00052945% change)
linmin: converged after 3 iterations.
iteration 82: trace = 4.452204259118691 (0.00101009% change)
linmin: converged after 4 iterations.
iteration 83: trace = 4.452119844876349 (0.00189603% change)
linmin: converged after 4 iterations.
iteration 84: trace = 4.452030543673131 (0.00200583% change)
linmin: converged after 4 iterations.
iteration 85: trace = 4.45197552293584 (0.00123586% change)
linmin: converged after 5 iterations.
iteration 86: trace = 4.451956336682908 (0.000430961% change)
linmin: converged after 3 iterations.
iteration 87: trace = 4.451951182937841 (0.000115764% change)
linmin: converged after 4 iterations.
iteration 88: trace = 4.451949926952084 (2.8212e-05% change)
linmin: converged after 5 iterations.
iteration 89: trace = 4.451949633716959 (6.58667e-06% change)
linmin: converged after 8 iterations.
iteration 90: trace = 4.451949555039724 (1.76725e-06% change)
linmin: converged after 2 iterations.
iteration 91: trace = 4.451949527224587 (6.24786e-07% change)
linmin: converged after 3 iterations.
iteration 92: trace = 4.451949519989509 (1.62515e-07% change)
linmin: converged after 3 iterations.
iteration 93: trace = 4.451949518321409 (3.7469e-08% change)
linmin: converged after 3 iterations.
iteration 94: trace = 4.451949517531421 (1.77448e-08% change)
linmin: converged after 2 iterations.
iteration 95: trace = 4.451949517019614 (1.14963e-08% change)
linmin: converged after 3 iterations.
iteration 96: trace = 4.451949516565088 (1.02096e-08% change)
linmin: converged after 3 iterations.
iteration 97: trace = 4.45194951631131 (5.70039e-09% change)
linmin: converged after 4 iterations.
iteration 98: trace = 4.451949516185847 (2.81816e-09% change)
linmin: converged after 4 iterations.
iteration 99: trace = 4.451949516111416 (1.67188e-09% change)
large trace change predicted (3.42048e-09%)
linmin: converged after 4 iterations.
iteration 100: trace = 4.451949515959136 (3.42052e-09% change)
linmin: converged after 6 iterations.
iteration 101: trace = 4.451949515672546 (6.43739e-09% change)
linmin: converged after 2 iterations.
iteration 102: trace = 4.451949515253594 (9.41055e-09% change)
linmin: converged after 3 iterations.
iteration 103: trace = 4.451949514776404 (1.07187e-08% change)
linmin: converged after 3 iterations.
iteration 104: trace = 4.45194951416843 (1.36564e-08% change)
linmin: converged after 3 iterations.
iteration 105: trace = 4.451949513641427 (1.18376e-08% change)
linmin: converged after 2 iterations.
iteration 106: trace = 4.451949513445262 (4.40627e-09% change)
linmin: converged after 12 iterations.
iteration 107: trace = 4.451949513374777 (1.58324e-09% change)
linmin: converged after 7 iterations.
iteration 108: trace = 4.451949513356691 (4.06248e-10% change)
linmin: converged after 3 iterations.
iteration 109: trace = 4.45194951335274 (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: 2.439682960510254
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117477 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.4924342823622063 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.5269710506448819 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212523 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.6568031427446029 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502106 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7383774303752576 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802595 at Vector3<0.0, 0.5, 0.0>
Band 6 range: 0.8259787164701542 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012401 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 7 range: 0.8271634538840895 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529579 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 8 range: 0.9984200611839876 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079054 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2993049473117477) to band 2 (0.4924342823622063), 48.78609719263024%
Gap from band 5 (0.7988168792802595) to band 6 (0.8259787164701542), 3.343415905475791%
Gap from band 7 (0.9834563303529579) to band 8 (0.9984200611839876), 1.5100569233205687%
total elapsed time for run: 15.819931745529175
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: 0.007974624633789062
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 8 iterations.
iteration 1: trace = 9.345806662498552 (196.355% change)
linmin: converged after 7 iterations.
iteration 2: trace = 3.455682105603809 (92.0225% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.964925980590619 (15.2869% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.881973434637948 (2.83749% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.868382752776485 (0.47269% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.865183812544305 (0.111586% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.863590833741098 (0.0556132% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.86286374516217 (0.025394% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.862718556173163 (0.00507159% change)
linmin: converged after 7 iterations.
iteration 10: trace = 2.862686082422817 (0.00113437% change)
linmin: converged after 8 iterations.
iteration 11: trace = 2.862646034309387 (0.00139898% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.862568116844171 (0.00272191% change)
linmin: converged after 11 iterations.
iteration 13: trace = 2.862522529156126 (0.00159256% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.86250702305457 (0.000541695% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.862497024431528 (0.000349297% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.862491945372896 (0.000177435% change)
linmin: converged after 5 iterations.
iteration 17: trace = 2.862490865834261 (3.77133e-05% change)
linmin: converged after 3 iterations.
iteration 18: trace = 2.862490726045403 (4.88347e-06% change)
linmin: converged after 3 iterations.
iteration 19: trace = 2.86249070824902 (6.2171e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 2.862490703921658 (1.51175e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 2.862490700442762 (1.21534e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.862490696942832 (1.22269e-07% change)
linmin: converged after 3 iterations.
iteration 23: trace = 2.862490694617096 (8.12487e-08% change)
linmin: converged after 4 iterations.
iteration 24: trace = 2.862490692196376 (8.45669e-08% change)
linmin: converged after 4 iterations.
iteration 25: trace = 2.862490689635972 (8.94467e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 2.86249068881215 (2.87799e-08% change)
linmin: converged after 4 iterations.
iteration 27: trace = 2.862490688657743 (5.39412e-09% change)
linmin: converged after 2 iterations.
iteration 28: trace = 2.86249068863399 (8.29833e-10% change)
linmin: converged after 23 iterations.
iteration 29: trace = 2.862490688625448 (2.98382e-10% change)
linmin: converged after 6 iterations.
iteration 30: trace = 2.862490688620295 (1.80025e-10% change)
linmin: converged after 16 iterations.
iteration 31: trace = 2.862490688618994 (4.54718e-11% change)
Finished solving for bands 2 to 8 after 31 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224
elapsed time for k point: 0.8227910995483398
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.8592665337501 (1.54925% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.842743885410416 (0.579538% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.837677720083909 (0.178373% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.836732000263371 (0.0333328% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.836186496136361 (0.0192319% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.835585889968089 (0.0211788% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.835329250902228 (0.00905106% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.835307580260285 (0.000764311% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.835302898412855 (0.000165127% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.835301638980058 (4.44197e-05% change)
linmin: converged after 22 iterations.
iteration 11: trace = 2.83530137235452 (9.40378e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.83530133647686 (1.26539e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.835301332836324 (1.284e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 2.835301331052827 (6.29032e-08% change)
linmin: converged after 25 iterations.
iteration 15: trace = 2.835301329637789 (4.99079e-08% change)
linmin: converged after 2 iterations.
iteration 16: trace = 2.835301328974367 (2.33986e-08% change)
linmin: converged after 15 iterations.
iteration 17: trace = 2.835301328638412 (1.1849e-08% change)
linmin: converged after 12 iterations.
iteration 18: trace = 2.835301328502628 (4.78904e-09% change)
linmin: converged after 3 iterations.
iteration 19: trace = 2.835301328480652 (7.75092e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 2.835301328478703 (6.87286e-11% change)
Finished solving for bands 1 to 8 after 20 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138
elapsed time for k point: 0.4495255947113037
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 2.80104758343635 (1.13558% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.796644378334312 (0.157322% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.795928878200921 (0.0255875% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.795770481181834 (0.00566543% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.795670517948642 (0.00357558% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.795637812105494 (0.00116988% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.795631405060606 (0.00022918% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.795630929521852 (1.70101e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.795630880408575 (1.75679e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.795630872968438 (2.66134e-07% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.795630871760076 (4.32232e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.795630871631213 (4.60942e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.795630871612962 (6.52847e-10% change)
linmin: converged after 6 iterations.
iteration 14: trace = 2.795630871602818 (3.62848e-10% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.795630871598377 (1.58883e-10% change)
linmin: converged after 2 iterations.
iteration 16: trace = 2.795630871597669 (2.53209e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031
elapsed time for k point: 0.3499257564544678
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 7 iterations.
iteration 1: trace = 2.774998560215873 (0.956829% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.772244894227243 (0.0992805% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.771711795790379 (0.0192317% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.771603071908647 (0.0039227% change)
linmin: converged after 6 iterations.
iteration 5: trace = 2.771573339861071 (0.00107274% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.771567875220617 (0.000197168% change)
linmin: converged after 3 iterations.
iteration 7: trace = 2.771565848864934 (7.31123e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 2.771565436133741 (1.48916e-05% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.771565393911645 (1.5234e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.771565390637119 (1.18147e-07% change)
linmin: converged after 12 iterations.
iteration 11: trace = 2.771565390406326 (8.32718e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.771565390385134 (7.6462e-10% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.77156539038211 (1.09117e-10% change)
linmin: converged after 12 iterations.
iteration 14: trace = 2.771565390381667 (1.5959e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964
elapsed time for k point: 0.3105955123901367
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 2.769862897694166 (0.914068% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.766236676430948 (0.131003% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.76499079933343 (0.0450488% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.764690915212312 (0.0108463% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.764623520243694 (0.00243773% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.764618233702719 (0.000191221% change)
linmin: converged after 3 iterations.
iteration 7: trace = 2.76461744645962 (2.84757e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 2.764617148488825 (1.0778e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.764617097736613 (1.83578e-06% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.764617094306761 (1.24062e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.764617094122716 (6.65715e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.764617094109743 (4.69242e-10% change)
linmin: converged after 9 iterations.
iteration 13: trace = 2.764617094107781 (7.09999e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008
elapsed time for k point: 0.24392247200012207
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 2.776059205793774 (0.931493% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.769429886165129 (0.239089% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.766409470118905 (0.109122% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.76565530954431 (0.0272651% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.765522422981642 (0.004805% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.765515118332745 (0.000264133% change)
linmin: converged after 7 iterations.
iteration 7: trace = 2.765514720941248 (1.43695e-05% change)
linmin: converged after 16 iterations.
iteration 8: trace = 2.765514678058571 (1.55062e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.765514659876088 (6.57472e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.765514655313922 (1.64966e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.765514654640203 (2.43614e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.765514654454888 (6.70095e-09% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.765514654390361 (2.33326e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.765514654376135 (5.14405e-10% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.765514654374654 (5.35377e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954
elapsed time for k point: 0.3309202194213867
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.767583432192894 (0.36764% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.766063309126988 (0.0549411% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.76572899258955 (0.0120871% change)
linmin: converged after 6 iterations.
iteration 4: trace = 2.765669394833951 (0.00215489% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.765658289765338 (0.000401534% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.76565667410184 (5.84188e-05% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.765656191162028 (1.7462e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.76565610867967 (2.98238e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.765656098612788 (3.63996e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.765656097543772 (3.86533e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.765656097432823 (4.01167e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.765656097370316 (2.26009e-09% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.765656097345329 (9.03479e-10% change)
linmin: converged after 5 iterations.
iteration 14: trace = 2.76565609734263 (9.75962e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945
elapsed time for k point: 0.29357051849365234
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.76828002496966 (0.361641% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.766861173313225 (0.051267% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.766538782497219 (0.0116525% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.766463876994901 (0.00270759% change)
linmin: converged after 6 iterations.
iteration 5: trace = 2.766444675349486 (0.000694089% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.766441155889405 (0.00012722% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.766440488279492 (2.41324e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.766440405119587 (3.00603e-06% change)
linmin: converged after 3 iterations.
iteration 9: trace = 2.766440395785975 (3.37387e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.766440394337008 (5.23766e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.766440393560161 (2.80811e-08% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.76644039313326 (1.54314e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.766440393061448 (2.59581e-09% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.766440393054012 (2.68803e-10% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.766440393053366 (2.33407e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864
elapsed time for k point: 0.1651744842529297
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.770564095893329 (0.348247% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.769310080424471 (0.0452723% change)
linmin: converged after 5 iterations.
iteration 3: trace = 2.769019050829584 (0.0105097% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.768934648753338 (0.00304813% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.768909972394422 (0.00089119% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.76890656309235 (0.000123128% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.768906106159754 (1.65023e-05% change)
linmin: converged after 7 iterations.
iteration 8: trace = 2.76890604289365 (2.28488e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.768906024550865 (6.62456e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.768906007868233 (6.02499e-07% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.768905997652202 (3.68956e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 2.768905996400175 (4.52174e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.768905996267477 (4.79246e-09% change)
linmin: converged after 2 iterations.
iteration 14: trace = 2.768905996251333 (5.83029e-10% change)
linmin: converged after 4 iterations.
iteration 15: trace = 2.768905996249786 (5.58779e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554
elapsed time for k point: 0.1836261749267578
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.775951451391057 (0.330999% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.774883098715778 (0.0384934% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.774640612551229 (0.00873899% change)
linmin: converged after 7 iterations.
iteration 4: trace = 2.774560995069022 (0.00286951% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.77453459325651 (0.000951572% change)
linmin: converged after 4 iterations.
iteration 6: trace = 2.774531225310032 (0.000121388% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.774530700766645 (1.89057e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.774530359497456 (1.23001e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.774529863122988 (1.78904e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.774529580681455 (1.01798e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.774529533963527 (1.68381e-06% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.774529531015569 (1.06251e-07% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.774529530846424 (6.09634e-09% change)
linmin: converged after 2 iterations.
iteration 14: trace = 2.774529530829859 (5.97037e-10% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.774529530826869 (1.07768e-10% change)
linmin: converged after 5 iterations.
iteration 16: trace = 2.774529530826194 (2.4329e-11% change)
Finished solving for bands 1 to 8 after 16 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777
elapsed time for k point: 0.20656204223632812
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 2.786010010559785 (0.314216% change)
linmin: converged after 4 iterations.
iteration 2: trace = 2.785094864090243 (0.0328533% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.784890622950957 (0.00733363% change)
linmin: converged after 5 iterations.
iteration 4: trace = 2.784815529274127 (0.0026965% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.784783018962653 (0.00116742% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.784775033133963 (0.000286767% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.78476738704222 (0.000274568% change)
large trace change predicted (0.00145949%)
linmin: converged after 4 iterations.
iteration 8: trace = 2.784726863706734 (0.00145519% change)
large trace change predicted (0.00560839%)
linmin: converged after 5 iterations.
iteration 9: trace = 2.784576806706474 (0.00538872% change)
linmin: converged after 5 iterations.
iteration 10: trace = 2.78443456658295 (0.00510827% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.784406387945208 (0.00101201% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.784404398152168 (7.1462e-05% change)
linmin: converged after 5 iterations.
iteration 13: trace = 2.784404189729957 (7.48534e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 2.784404151061408 (1.38875e-06% change)
linmin: converged after 2 iterations.
iteration 15: trace = 2.784404143391646 (2.75454e-07% change)
linmin: converged after 19 iterations.
iteration 16: trace = 2.784404142114114 (4.58817e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 2.784404141807705 (1.10045e-08% change)
linmin: converged after 2 iterations.
iteration 18: trace = 2.784404141512633 (1.05973e-08% change)
large trace change predicted (3.91071e-08%)
linmin: converged after 3 iterations.
iteration 19: trace = 2.784404140423731 (3.91072e-08% change)
linmin: converged after 29 iterations.
iteration 20: trace = 2.784404138303259 (7.61553e-08% change)
linmin: converged after 3 iterations.
iteration 21: trace = 2.78440413567283 (9.44701e-08% change)
linmin: converged after 28 iterations.
iteration 22: trace = 2.784404132526767 (1.12989e-07% change)
linmin: converged after 26 iterations.
iteration 23: trace = 2.784404131138652 (4.98532e-08% change)
linmin: converged after 2 iterations.
iteration 24: trace = 2.784404130765977 (1.33844e-08% change)
linmin: converged after 2 iterations.
iteration 25: trace = 2.784404130704079 (2.22301e-09% change)
linmin: converged after 3 iterations.
iteration 26: trace = 2.784404130699127 (1.77849e-10% change)
linmin: converged after 3 iterations.
iteration 27: trace = 2.78440413069857 (2.00003e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015
elapsed time for k point: 0.618168830871582
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.772753997213508 (1.31493% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.767398262731172 (0.193343% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.766394048711009 (0.0362939% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.766294359316778 (0.00360365% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.76627831243169 (0.000580088% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.766276055716656 (8.15795e-05% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.766275726375524 (1.19056e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.766275697025947 (1.06098e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.766275694526928 (9.03388e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.766275694283745 (8.791e-09% change)
linmin: converged after 3 iterations.
iteration 11: trace = 2.766275694243466 (1.45605e-09% change)
linmin: converged after 7 iterations.
iteration 12: trace = 2.766275694206311 (1.34313e-09% change)
linmin: converged after 2 iterations.
iteration 13: trace = 2.766275694188478 (6.44668e-10% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.766275694185664 (1.01732e-10% change)
linmin: converged after 5 iterations.
iteration 15: trace = 2.766275694185342 (1.16229e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772
elapsed time for k point: 0.5061051845550537
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 8 iterations.
iteration 1: trace = 2.771492865813062 (1.30013% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.766681096222254 (0.173767% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.765870731016951 (0.0292944% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.76578435790659 (0.00312287% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.765768964129088 (0.000556581% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.76576691356746 (7.41408e-05% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.765766616476076 (1.07417e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.765766581509604 (1.26426e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.765766575906304 (2.02595e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.765766575033982 (3.154e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 2.76576657497265 (2.21753e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 2.765766574968935 (1.3433e-10% change)
linmin: converged after 8 iterations.
iteration 13: trace = 2.765766574968628 (1.10791e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206
elapsed time for k point: 0.30576491355895996
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.791470836862437 (1.28311% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.787458714099793 (0.143831% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.786926033089986 (0.0191117% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.786856117715415 (0.00250872% change)
linmin: converged after 5 iterations.
iteration 5: trace = 2.786833391429705 (0.000815484% change)
linmin: converged after 5 iterations.
iteration 6: trace = 2.786827001476856 (0.000229291% change)
linmin: converged after 6 iterations.
iteration 7: trace = 2.786825618414128 (4.96286e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 2.786825460368144 (5.67118e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 2.786825447118284 (4.75446e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 2.786825446092698 (3.68012e-08% change)
linmin: converged after 6 iterations.
iteration 11: trace = 2.786825446011257 (2.92234e-09% change)
linmin: converged after 5 iterations.
iteration 12: trace = 2.786825446005847 (1.9414e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 2.786825446005419 (1.53616e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064
elapsed time for k point: 0.2786531448364258
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 8 iterations.
iteration 1: trace = 2.83493324550536 (1.30701% change)
linmin: converged after 3 iterations.
iteration 2: trace = 2.830403965065325 (0.159894% change)
linmin: converged after 4 iterations.
iteration 3: trace = 2.829621813628173 (0.0276377% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.829419384307016 (0.00715419% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.829342538493453 (0.00271599% change)
linmin: converged after 6 iterations.
iteration 6: trace = 2.829305726218515 (0.0013011% change)
linmin: converged after 5 iterations.
iteration 7: trace = 2.829276325559039 (0.00103915% change)
linmin: converged after 5 iterations.
iteration 8: trace = 2.829270956342493 (0.000189774% change)
linmin: converged after 4 iterations.
iteration 9: trace = 2.829270335813156 (2.19325e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.829270284334416 (1.81951e-06% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.829270280435292 (1.37814e-07% change)
linmin: converged after 3 iterations.
iteration 12: trace = 2.829270280036013 (1.41124e-08% change)
linmin: converged after 8 iterations.
iteration 13: trace = 2.829270279947552 (3.12666e-09% change)
linmin: converged after 3 iterations.
iteration 14: trace = 2.829270279913445 (1.2055e-09% change)
linmin: converged after 6 iterations.
iteration 15: trace = 2.829270279899193 (5.03724e-10% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.829270279889811 (3.31599e-10% change)
linmin: converged after 3 iterations.
iteration 17: trace = 2.829270279885796 (1.4191e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 2.82927027988534 (1.612e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451
elapsed time for k point: 0.3466658592224121
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 2.88614168583594 (1.47203% change)
linmin: converged after 5 iterations.
iteration 2: trace = 2.874303792321681 (0.411006% change)
linmin: converged after 8 iterations.
iteration 3: trace = 2.867461048283277 (0.23835% change)
linmin: converged after 4 iterations.
iteration 4: trace = 2.863972339330284 (0.121739% change)
linmin: converged after 4 iterations.
iteration 5: trace = 2.863259526576075 (0.0248921% change)
linmin: converged after 3 iterations.
iteration 6: trace = 2.863087260461168 (0.00601661% change)
linmin: converged after 4 iterations.
iteration 7: trace = 2.86298756916355 (0.00348201% change)
large trace change predicted (0.0075076%)
linmin: converged after 5 iterations.
iteration 8: trace = 2.86277099830971 (0.00756479% change)
linmin: converged after 5 iterations.
iteration 9: trace = 2.862591893260045 (0.00625655% change)
linmin: converged after 4 iterations.
iteration 10: trace = 2.862540772323387 (0.00178584% change)
linmin: converged after 4 iterations.
iteration 11: trace = 2.862503519860812 (0.00130139% change)
linmin: converged after 6 iterations.
iteration 12: trace = 2.862492614383973 (0.000380978% change)
linmin: converged after 4 iterations.
iteration 13: trace = 2.862491127238294 (5.19528e-05% change)
linmin: converged after 6 iterations.
iteration 14: trace = 2.862490902676301 (7.84499e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 2.862490848354834 (1.8977e-06% change)
linmin: converged after 4 iterations.
iteration 16: trace = 2.862490815153661 (1.15987e-06% change)
linmin: converged after 9 iterations.
iteration 17: trace = 2.862490774134767 (1.43298e-06% change)
linmin: converged after 2 iterations.
iteration 18: trace = 2.862490747516321 (9.29905e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 2.862490726725345 (7.26325e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 2.862490701040766 (8.97281e-07% change)
linmin: converged after 2 iterations.
iteration 21: trace = 2.862490690405861 (3.71526e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 2.862490688920468 (5.18916e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 2.862490688724709 (6.83876e-09% change)
linmin: converged after 5 iterations.
iteration 24: trace = 2.862490688677528 (1.64826e-09% change)
linmin: converged after 8 iterations.
iteration 25: trace = 2.862490688650878 (9.31e-10% change)
linmin: converged after 6 iterations.
iteration 26: trace = 2.862490688640401 (3.66024e-10% change)
linmin: converged after 6 iterations.
iteration 27: trace = 2.862490688636764 (1.2706e-10% change)
linmin: converged after 2 iterations.
iteration 28: trace = 2.862490688630895 (2.05019e-10% change)
linmin: converged after 6 iterations.
iteration 29: trace = 2.862490688622824 (2.81968e-10% change)
linmin: converged after 2 iterations.
iteration 30: trace = 2.862490688619479 (1.16868e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 2.862490688618609 (3.03921e-11% change)
Finished solving for bands 2 to 8 after 31 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224
.elapsed time for k point: 0.6785860061645508
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.2801552391378436 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046681 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4390817228448607 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980536 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.4933684778826863 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268188 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.581035246804371 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372994 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.6825317446715007 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213784 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 7 range: 0.692014574213478 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393071 at Vector3<0.0, 0.4, 0.0>
Band 8 range: 0.7980077872594095 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823448 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378436), 0.02272961238288739%
Gap from band 2 (0.3985126081046681) to band 3 (0.4390817228448607), 9.68705571208962%
Gap from band 3 (0.49288810189980536) to band 4 (0.4933684778826863), 0.09741399808696079%
Gap from band 4 (0.5808701365268188) to band 5 (0.581035246804371), 0.028420606345552785%
Gap from band 5 (0.6824860801372994) to band 6 (0.6825317446715007), 0.006690686871827688%
Gap from band 7 (0.7841042622393071) to band 8 (0.7980077872594095), 1.7575904341930328%
total elapsed time for run: 6.101043701171875
done
/tmp/meepNmMUdV/test_tri_holes-0: 22.22s
/tmp/meepNmMUdV/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: 0.0050601959228515625
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 13.46696798403985 (196.169% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.440830280549298 (84.8976% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.843527011222883 (11.6158% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.66870088544199 (3.67582% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.608869323792535 (1.28981% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.588596019692758 (0.440845% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.580741637917265 (0.171318% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.578987295161925 (0.0383056% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.578322878448378 (0.0145112% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.578003942463452 (0.00696646% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.577929653765434 (0.00162274% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.577907037545209 (0.000494028% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.577897255801765 (0.000213673% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.577895086336243 (4.739e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.577894696365689 (8.51856e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.577894636935326 (1.2982e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.577894629221467 (1.68502e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.57789462756871 (3.6103e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.577894626939197 (1.37511e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.577894626693616 (5.3645e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 4.577894626612534 (1.77116e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.577894626584479 (6.12834e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.577894626574802 (2.11398e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.5778946265728 (4.37309e-11% change)
Finished solving for bands 2 to 8 after 24 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.3762822151184082
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.573594159720262 (1.05882% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.553362423580538 (0.44334% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.549198778889009 (0.0914829% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.547235691259334 (0.0431617% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.546720480078173 (0.0113308% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.546675795887485 (0.000982783% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.546668812199721 (0.0001536% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.546667474444718 (2.94228e-05% change)
linmin: converged after 14 iterations.
iteration 9: trace = 4.546667093982197 (8.36794e-06% change)
linmin: converged after 9 iterations.
iteration 10: trace = 4.546667026314714 (1.48829e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.546667010167351 (3.55147e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.546667005947772 (9.2806e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.546667004173658 (3.90201e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.546667003528522 (1.41892e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.546667003425869 (2.25776e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 4.54666700341108 (3.25273e-10% change)
linmin: converged after 6 iterations.
iteration 17: trace = 4.546667003406387 (1.03202e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.546667003404458 (4.24294e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637
elapsed time for k point: 0.37159061431884766
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.480154501467132 (1.0243% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.462951577209417 (0.384719% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.458417513621942 (0.101645% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.456998073935472 (0.0318424% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.456802317102539 (0.00439222% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.456776714934252 (0.000574453% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.456772279362192 (9.95243e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.456771848143078 (9.67559e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.45677180550385 (9.56729e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.456771799201279 (1.41416e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.45677179734536 (4.16427e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.456771796664022 (1.52877e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.456771796571509 (2.07578e-09% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.45677179656453 (1.566e-10% change)
linmin: converged after 10 iterations.
iteration 15: trace = 4.456771796562707 (4.08938e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281
elapsed time for k point: 0.32648134231567383
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.372440119410638 (0.691847% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.36628268566883 (0.140923% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.364947654944968 (0.0305806% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.3646267634637 (0.00735182% change)
linmin: converged after 8 iterations.
iteration 5: trace = 4.364572744594435 (0.00123766% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.364566107346525 (0.000152071% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.364565316740353 (1.81142e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.364565239126187 (1.77828e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.364565234500088 (1.05992e-07% change)
linmin: converged after 16 iterations.
iteration 10: trace = 4.364565233724118 (1.77789e-08% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.364565233381509 (7.8498e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.364565233306729 (1.71333e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.364565233299629 (1.62676e-10% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.364565233298256 (3.14607e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598
elapsed time for k point: 0.2894704341888428
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.308394919604914 (0.552361% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.304883211984217 (0.0815417% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.304231324865023 (0.0151441% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.304101774804954 (0.00300988% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.304072509722032 (0.000679937% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.304070117659418 (5.55767e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.304069984297111 (3.09852e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.304069968915966 (3.57363e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.304069965945501 (6.90153e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.304069964779024 (2.71017e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.304069964479551 (6.95791e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.304069964440697 (9.02712e-10% change)
linmin: converged after 15 iterations.
iteration 13: trace = 4.304069964437605 (7.18332e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409
elapsed time for k point: 0.26520347595214844
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.287294007238569 (0.514399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.284124961328378 (0.0739445% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283595116492505 (0.0123684% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.283502303118701 (0.00216674% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.283478596024282 (0.000553453% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.283477154458746 (3.36541e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.283477077810691 (1.78939e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283477070330028 (1.7464e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283477066817817 (8.19944e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.283477065770438 (2.44516e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.283477065633829 (3.18919e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.283477065618206 (3.64749e-10% change)
linmin: converged after 7 iterations.
iteration 13: trace = 4.283477065616429 (4.147e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087
elapsed time for k point: 0.4003562927246094
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.276566747825642 (0.530593% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.266858088831401 (0.227278% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.264882331994833 (0.0463154% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.264548458692772 (0.00782874% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.26448873054892 (0.00140058% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.264476449097828 (0.000287994% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.264474782181725 (3.90884e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.264474642738402 (3.26988e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.264474631967129 (2.52581e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.264474631257338 (1.66443e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.264474631203496 (1.26258e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.264474631199774 (8.72667e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895
elapsed time for k point: 0.2710869312286377
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.232489072565435 (0.358169% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.229105412374738 (0.0799769% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.228655882204028 (0.01063% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.228604967100097 (0.00120406% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.228597156343838 (0.000184713% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.228595847507816 (3.0952e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.228595668484545 (4.23363e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.22859565366972 (3.50349e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.228595652361877 (3.09285e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.2285956522714 (2.13965e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.228595652264813 (1.55766e-10% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.228595652264468 (8.17059e-12% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413
elapsed time for k point: 0.30803728103637695
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.198038763849336 (0.248355% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.19670478415921 (0.0317813% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.196585228731932 (0.00284883% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.196578318037075 (0.000164674% change)
linmin: converged after 11 iterations.
iteration 5: trace = 4.196577861660904 (1.0875e-05% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.196577824465233 (8.86333e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.196577821831923 (6.2749e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.196577821279777 (1.31571e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.196577821233545 (1.10167e-09% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.19657782122971 (9.13665e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487
elapsed time for k point: 0.21921586990356445
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.176560952862092 (0.20622% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.175731928735225 (0.0198514% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.175658188677833 (0.00176593% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.175652343488816 (0.000139983% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.175651823639798 (1.24495e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.175651765087073 (1.40224e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.175651761832766 (7.79353e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.175651761361387 (1.12888e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.175651761335724 (6.14587e-10% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.17565176133351 (5.30059e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597
elapsed time for k point: 0.16248202323913574
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.169192632974824 (0.188262% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.168494135847979 (0.0167552% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.168418925223788 (0.00180428% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.16841215172734 (0.000162496% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.168411725528161 (1.02245e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.168411690634318 (8.37102e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.168411689651686 (2.35733e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.168411689612855 (9.31558e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.168411689609144 (8.90221e-11% change)
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925
elapsed time for k point: 0.1286160945892334
Fixing e-field (band 1) phase by -1 + 4.11947e-08i; max ampl. = 0.93911
Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b01.z.tm.h5...
Fixing e-field (band 2) phase by -4.11947e-08 + -1i; max ampl. = 1.08316
Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b02.z.tm.h5...
Fixing e-field (band 3) phase by 1 + -4.11947e-08i; max ampl. = 0.877953
Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b03.z.tm.h5...
Fixing e-field (band 4) phase by 1 + -4.11947e-08i; max ampl. = 1.24657
Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b04.z.tm.h5...
Fixing e-field (band 5) phase by 4.11947e-08 + 1i; max ampl. = 1.10168
Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b05.z.tm.h5...
Fixing e-field (band 6) phase by -1 + 4.11949e-08i; max ampl. = 1.76186
Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b06.z.tm.h5...
Fixing e-field (band 7) phase by -1 + 4.11947e-08i; max ampl. = 1.0881
Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b07.z.tm.h5...
Fixing e-field (band 8) phase by -1 + 4.11947e-08i; max ampl. = 1.08096
Outputting fields to /tmp/meepNmMUdV/test_tri_rods-0-e.k11.b08.z.tm.h5...
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.201218407861227 (0.720819% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.198256255957316 (0.0705318% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.197890564842538 (0.00871093% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.197857649510745 (0.000784095% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.197854429378013 (7.6709e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.197854075525584 (8.42936e-06% change)
linmin: converged after 6 iterations.
iteration 7: trace = 4.197854052380286 (5.5136e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.19785405041534 (4.68084e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.197854050317016 (2.34224e-09% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.197854050309862 (1.70427e-10% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.197854050309301 (1.33506e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925
elapsed time for k point: 0.16094970703125
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.288243522338975 (0.732668% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.283958408011071 (0.099977% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283371588299238 (0.013699% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.28328143883801 (0.00210466% change)
linmin: converged after 6 iterations.
iteration 5: trace = 4.283267824693607 (0.000317844% change)
linmin: converged after 13 iterations.
iteration 6: trace = 4.283266579370459 (2.90741e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.283266497834244 (1.9036e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283266490102648 (1.80507e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.28326648909319 (2.35675e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.283266489000648 (2.16055e-09% change)
linmin: converged after 5 iterations.
iteration 11: trace = 4.28326648899116 (2.21523e-10% change)
linmin: converged after 15 iterations.
iteration 12: trace = 4.283266488990682 (1.1156e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199
elapsed time for k point: 0.13541579246520996
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.420129679059331 (0.818903% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.412260674164541 (0.178185% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.410633634426008 (0.0368822% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.410197926814329 (0.00987906% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.410114427040234 (0.00189335% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.410103889016637 (0.000238952% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.410102421711944 (3.32714e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.410102293698953 (2.90272e-06% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.410102277309543 (3.71633e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.410102274815385 (5.65556e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.410102274561978 (5.74606e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.410102274546349 (3.54397e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.410102274545235 (2.52551e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113
elapsed time for k point: 0.14555144309997559
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.56332893210122 (1.027% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.544560398258204 (0.412138% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.537741031323309 (0.150168% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.535260913319919 (0.0546703% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.534595991553311 (0.0146622% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.534531477384966 (0.00142272% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.534520999244496 (0.000231075% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.534518657738523 (5.16374e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.534517831347478 (1.82245e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.5345176853933 (3.21874e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.534517644423106 (9.03518e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.534517627208904 (3.79626e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.534517623618736 (7.91742e-08% change)
linmin: converged after 19 iterations.
iteration 14: trace = 4.534517622906266 (1.57121e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.534517622781559 (2.75018e-09% change)
linmin: converged after 19 iterations.
iteration 16: trace = 4.534517622760763 (4.58611e-10% change)
linmin: converged after 10 iterations.
iteration 17: trace = 4.534517622757205 (7.84657e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149
elapsed time for k point: 0.25269627571105957
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.620932082273765 (1.44492% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.585858477330484 (0.761907% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.579350993234657 (0.142004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.57821177137969 (0.0248805% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.577956393189917 (0.00557828% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.577915173102073 (0.000900408% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.577900193795438 (0.000327209% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.577895724955971 (9.76177e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 4.577894738564436 (2.15468e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.577894647524323 (1.98869e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.577894631981872 (3.39511e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.577894627560068 (9.65903e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.577894626684429 (1.91275e-08% change)
linmin: converged after 8 iterations.
iteration 14: trace = 4.577894626586343 (2.1426e-09% change)
linmin: converged after 5 iterations.
iteration 15: trace = 4.57789462657365 (2.77266e-10% change)
linmin: converged after 6 iterations.
iteration 16: trace = 4.577894626572485 (2.54547e-11% change)
Finished solving for bands 2 to 8 after 16 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.2687060832977295
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797744 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.5932960873585139 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8375948528443258 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0>
Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639%
Gap from band 3 (0.5605607947797744) to band 4 (0.5932960873585139), 5.674064623695028%
Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756%
Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443258), 0.01716204727276697%
Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908%
total elapsed time for run: 4.1578052043914795
done
Read lattice vectors
Read Bloch wavevector (-0.333333, 0.333333, 0)
Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1)
Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3)
Input data is rank 2, size 32x32x1.
Output data 96x83x1
real part range: -1.03932 .. 1.03493
imag part range: -1.08496 .. 1.08496
Initializing eigensolver data
Computing 8 bands with 1e-12 tolerance
Working in 2 dimensions.
Grid size is 32 x 32 x 1.
Solving for 8 bands at a time.
Creating Maxwell data...
Mesh size is 3.
Lattice vectors:
(0.866025, 0.5, 0)
(0.866025, -0.5, 0)
(0, 0, 1)
Cell volume = 0.866025
Reciprocal lattice vectors (/ 2 pi):
(0.57735, 1, -0)
(0.57735, -1, 0)
(-0, 0, 1)
Geometric objects:
cylinder, center = (0,0,0)
radius 0.2, height 1e+20, axis (0, 0, 1)
Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
Initializing epsilon function...
Solving for band polarization: te.
Initializing fields to random numbers...
16 k-points
Vector3<0.0, 0.0, 0.0>
Vector3<0.0, 0.1, 0.0>
Vector3<0.0, 0.2, 0.0>
Vector3<0.0, 0.30000000000000004, 0.0>
Vector3<0.0, 0.4, 0.0>
Vector3<0.0, 0.5, 0.0>
Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
Vector3<-0.2, 0.39999999999999997, 0.0>
Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
Vector3<-0.1333333333333333, 0.1333333333333333, 0.0>
Vector3<-0.06666666666666665, 0.06666666666666665, 0.0>
Vector3<0.0, 0.0, 0.0>
elapsed time for initialization: 0.008412837982177734
solve_kpoint (0,0,0):
tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 9 iterations.
iteration 1: trace = 17.36160904168521 (195.027% change)
linmin: converged after 7 iterations.
iteration 2: trace = 7.562476866233162 (78.6318% change)
linmin: converged after 5 iterations.
iteration 3: trace = 6.689988797283957 (12.2433% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.443872873233596 (3.74781% change)
linmin: converged after 7 iterations.
iteration 5: trace = 6.353949184309321 (1.4053% change)
linmin: converged after 4 iterations.
iteration 6: trace = 6.308924004704995 (0.711137% change)
linmin: converged after 5 iterations.
iteration 7: trace = 6.270403953052988 (0.612434% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.245962911362792 (0.390545% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.231123952679834 (0.237859% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.222648387566119 (0.136112% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.218459085007066 (0.0673461% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.215474845126679 (0.0480015% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.213476033896341 (0.0321638% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.211799733837875 (0.0269821% change)
linmin: converged after 4 iterations.
iteration 15: trace = 6.210166322657411 (0.0262988% change)
linmin: converged after 4 iterations.
iteration 16: trace = 6.208765013189158 (0.0225673% change)
linmin: converged after 3 iterations.
iteration 17: trace = 6.207458642124069 (0.021043% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.20649696589854 (0.0154935% change)
linmin: converged after 4 iterations.
iteration 19: trace = 6.205910205793259 (0.00945441% change)
linmin: converged after 4 iterations.
iteration 20: trace = 6.205612235735027 (0.00480151% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.205499078041645 (0.00182349% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.205434445474106 (0.00104154% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.205390974318169 (0.000700536% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.205367423163239 (0.000379528% change)
linmin: converged after 4 iterations.
iteration 25: trace = 6.205356899945468 (0.000169583% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.205352210725798 (7.55673e-05% change)
linmin: converged after 5 iterations.
iteration 27: trace = 6.205348781520901 (5.52621e-05% change)
linmin: converged after 5 iterations.
iteration 28: trace = 6.205345652519168 (5.04243e-05% change)
linmin: converged after 5 iterations.
iteration 29: trace = 6.205343137714793 (4.05264e-05% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.205341359594264 (2.86547e-05% change)
linmin: converged after 5 iterations.
iteration 31: trace = 6.205340285757587 (1.7305e-05% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.205339401862772 (1.42441e-05% change)
linmin: converged after 4 iterations.
iteration 33: trace = 6.205338538782246 (1.39087e-05% change)
linmin: converged after 8 iterations.
iteration 34: trace = 6.205338005697968 (8.59074e-06% change)
linmin: converged after 5 iterations.
iteration 35: trace = 6.20533779281334 (3.43067e-06% change)
linmin: converged after 14 iterations.
iteration 36: trace = 6.205337727927921 (1.04564e-06% change)
linmin: converged after 2 iterations.
iteration 37: trace = 6.205337700665202 (4.39343e-07% change)
linmin: converged after 2 iterations.
iteration 38: trace = 6.205337682076977 (2.99552e-07% change)
linmin: converged after 4 iterations.
iteration 39: trace = 6.205337670235849 (1.90822e-07% change)
linmin: converged after 2 iterations.
iteration 40: trace = 6.20533766360399 (1.06873e-07% change)
linmin: converged after 4 iterations.
iteration 41: trace = 6.205337659445417 (6.7016e-08% change)
linmin: converged after 2 iterations.
iteration 42: trace = 6.205337656271132 (5.11541e-08% change)
linmin: converged after 4 iterations.
iteration 43: trace = 6.205337653590746 (4.31948e-08% change)
linmin: converged after 2 iterations.
iteration 44: trace = 6.205337651674759 (3.08764e-08% change)
linmin: converged after 2 iterations.
iteration 45: trace = 6.205337650112281 (2.51796e-08% change)
linmin: converged after 2 iterations.
iteration 46: trace = 6.205337648922284 (1.9177e-08% change)
linmin: converged after 9 iterations.
iteration 47: trace = 6.205337648157436 (1.23256e-08% change)
linmin: converged after 18 iterations.
iteration 48: trace = 6.20533764764661 (8.23204e-09% change)
linmin: converged after 4 iterations.
iteration 49: trace = 6.205337647357124 (4.66512e-09% change)
linmin: converged after 4 iterations.
iteration 50: trace = 6.20533764722022 (2.20623e-09% change)
linmin: converged after 13 iterations.
iteration 51: trace = 6.205337647170952 (7.9395e-10% change)
linmin: converged after 3 iterations.
iteration 52: trace = 6.20533764715244 (2.98329e-10% change)
linmin: converged after 4 iterations.
iteration 53: trace = 6.205337647143449 (1.44892e-10% change)
linmin: converged after 3 iterations.
iteration 54: trace = 6.205337647136523 (1.11614e-10% change)
linmin: converged after 3 iterations.
iteration 55: trace = 6.205337647130181 (1.0221e-10% change)
linmin: converged after 4 iterations.
iteration 56: trace = 6.205337647125874 (6.94044e-11% change)
Finished solving for bands 2 to 8 after 56 iterations.
tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681
elapsed time for k point: 1.0886330604553223
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 6.158539024412352 (1.66275% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.098032659804193 (0.987329% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.081903131797574 (0.264854% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.074376705631005 (0.123828% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.072216470542372 (0.0355694% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.071224930874141 (0.0163305% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.070791668858596 (0.00713657% change)
linmin: converged after 5 iterations.
iteration 8: trace = 6.070592820913717 (0.00327554% change)
linmin: converged after 3 iterations.
iteration 9: trace = 6.070504835682351 (0.00144938% change)
linmin: converged after 3 iterations.
iteration 10: trace = 6.070476174703737 (0.000472136% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.070466776951315 (0.000154811% change)
linmin: converged after 3 iterations.
iteration 12: trace = 6.070462362656822 (7.27176e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.070460758493464 (2.64257e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 6.070460318551033 (7.24727e-06% change)
linmin: converged after 5 iterations.
iteration 15: trace = 6.070460193420175 (2.06131e-06% change)
linmin: converged after 5 iterations.
iteration 16: trace = 6.070460137715081 (9.17642e-07% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.070460108900742 (4.74665e-07% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.070460095276799 (2.2443e-07% change)
linmin: converged after 5 iterations.
iteration 19: trace = 6.070460086895674 (1.38064e-07% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.07046007986356 (1.15842e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.070460075401997 (7.34963e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.070460072809237 (4.27111e-08% change)
linmin: converged after 10 iterations.
iteration 23: trace = 6.070460071630654 (1.94151e-08% change)
linmin: converged after 23 iterations.
iteration 24: trace = 6.070460071141095 (8.0646e-09% change)
linmin: converged after 6 iterations.
iteration 25: trace = 6.070460070886772 (4.18953e-09% change)
linmin: converged after 18 iterations.
iteration 26: trace = 6.070460070770764 (1.91102e-09% change)
linmin: converged after 18 iterations.
iteration 27: trace = 6.070460070719212 (8.49236e-10% change)
linmin: converged after 6 iterations.
iteration 28: trace = 6.070460070698456 (3.41915e-10% change)
linmin: converged after 12 iterations.
iteration 29: trace = 6.070460070686254 (2.01003e-10% change)
linmin: converged after 3 iterations.
iteration 30: trace = 6.070460070677973 (1.36406e-10% change)
linmin: converged after 20 iterations.
iteration 31: trace = 6.070460070673304 (7.6916e-11% change)
Finished solving for bands 1 to 8 after 31 iterations.
tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151
elapsed time for k point: 0.6940999031066895
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.879585450099651 (0.610248% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.864179164987615 (0.262374% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.859434248089517 (0.0809463% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.857343394584574 (0.0356899% change)
linmin: converged after 3 iterations.
iteration 5: trace = 5.856604562107094 (0.0126146% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.856366774447409 (0.00406024% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.856287811142514 (0.00134834% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.856258046979383 (0.000508244% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.856247804313636 (0.000174901% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.85624293285546 (8.3184e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.856240727525813 (3.76578e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.856239109988355 (2.76208e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.856238145767135 (1.64649e-05% change)
linmin: converged after 6 iterations.
iteration 14: trace = 5.856237866910497 (4.7617e-06% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.856237777123892 (1.53318e-06% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.856237751867796 (4.31268e-07% change)
linmin: converged after 10 iterations.
iteration 17: trace = 5.856237743987695 (1.34559e-07% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.856237740787464 (5.46465e-08% change)
linmin: converged after 5 iterations.
iteration 19: trace = 5.85623773908993 (2.89868e-08% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.856237737682886 (2.40264e-08% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.856237736546369 (1.9407e-08% change)
linmin: converged after 4 iterations.
iteration 22: trace = 5.856237735790062 (1.29146e-08% change)
linmin: converged after 2 iterations.
iteration 23: trace = 5.856237735217729 (9.77305e-09% change)
linmin: converged after 3 iterations.
iteration 24: trace = 5.8562377349484 (4.599e-09% change)
linmin: converged after 4 iterations.
iteration 25: trace = 5.856237734795146 (2.61694e-09% change)
linmin: converged after 7 iterations.
iteration 26: trace = 5.856237734734316 (1.03871e-09% change)
linmin: converged after 6 iterations.
iteration 27: trace = 5.8562377347143 (3.41789e-10% change)
linmin: converged after 3 iterations.
iteration 28: trace = 5.856237734707861 (1.09956e-10% change)
linmin: converged after 3 iterations.
iteration 29: trace = 5.856237734706169 (2.88919e-11% change)
Finished solving for bands 1 to 8 after 29 iterations.
tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298
elapsed time for k point: 0.33068132400512695
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.688335296896508 (0.327793% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.682021917668216 (0.11105% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.680153605096928 (0.0328865% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.679577245556072 (0.0101474% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.67938121002896 (0.00345165% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.679338397145543 (0.000753833% change)
linmin: converged after 5 iterations.
iteration 7: trace = 5.679327009081291 (0.000200518% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.679321501428527 (9.69773e-05% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.67931869579583 (4.94009e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 5.679317068872701 (2.86465e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.679316526996146 (9.54123e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.679316324977444 (3.5571e-06% change)
linmin: converged after 14 iterations.
iteration 13: trace = 5.679316252366132 (1.27852e-06% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.679316236097751 (2.8645e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.679316231672794 (7.79136e-08% change)
linmin: converged after 13 iterations.
iteration 16: trace = 5.679316229977095 (2.98574e-08% change)
linmin: converged after 4 iterations.
iteration 17: trace = 5.679316229108177 (1.52997e-08% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.679316228341653 (1.34968e-08% change)
linmin: converged after 16 iterations.
iteration 19: trace = 5.679316227585914 (1.33069e-08% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.679316226988041 (1.05272e-08% change)
linmin: converged after 12 iterations.
iteration 21: trace = 5.679316226705491 (4.97507e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.67931622663782 (1.19154e-09% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.679316226609477 (4.99051e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 5.679316226600837 (1.52135e-10% change)
linmin: converged after 3 iterations.
iteration 25: trace = 5.679316226598069 (4.87306e-11% change)
Finished solving for bands 1 to 8 after 25 iterations.
tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117
elapsed time for k point: 0.2555723190307617
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 5.57218121352375 (0.241977% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.568600925706007 (0.0642735% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.567657736853601 (0.0169391% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.567444170135072 (0.00383592% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.567377620490181 (0.00119534% change)
linmin: converged after 5 iterations.
iteration 6: trace = 5.567363512847055 (0.000253399% change)
linmin: converged after 3 iterations.
iteration 7: trace = 5.567360010913101 (6.29011e-05% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.567358378549432 (2.93203e-05% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.567357563479857 (1.46402e-05% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.567357125846616 (7.8607e-06% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.567356991067827 (2.42088e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.567356957505876 (6.02835e-07% change)
linmin: converged after 8 iterations.
iteration 13: trace = 5.567356948843496 (1.55592e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.567356946798316 (3.67352e-08% change)
linmin: converged after 22 iterations.
iteration 15: trace = 5.567356946093135 (1.26664e-08% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.567356945636325 (8.20514e-09% change)
linmin: converged after 25 iterations.
iteration 17: trace = 5.567356945304207 (5.96546e-09% change)
linmin: converged after 7 iterations.
iteration 18: trace = 5.567356944950218 (6.35829e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.567356944690507 (4.66488e-09% change)
linmin: converged after 15 iterations.
iteration 20: trace = 5.567356944584951 (1.89599e-09% change)
linmin: converged after 9 iterations.
iteration 21: trace = 5.567356944550362 (6.21286e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.567356944542213 (1.46372e-10% change)
linmin: converged after 3 iterations.
iteration 23: trace = 5.56735694453921 (5.39382e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107
elapsed time for k point: 0.5451738834381104
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 5.532738106742345 (0.208662% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.530094842108995 (0.0477864% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.529443009715393 (0.0117877% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.529317903820871 (0.00226257% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.529282320152231 (0.000643547% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.529274170469082 (0.000147391% change)
linmin: converged after 9 iterations.
iteration 7: trace = 5.529272236624188 (3.49747e-05% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.52927160610899 (1.14032e-05% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.529271436020514 (3.07615e-06% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.529271373878376 (1.12388e-06% change)
linmin: converged after 6 iterations.
iteration 11: trace = 5.529271337491402 (6.58079e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.529271320740964 (3.02941e-07% change)
linmin: converged after 32 iterations.
iteration 13: trace = 5.52927131554956 (9.38895e-08% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.52927131449556 (1.90622e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.529271314233556 (4.73849e-09% change)
linmin: converged after 17 iterations.
iteration 16: trace = 5.529271314081585 (2.74848e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.529271313980218 (1.83328e-09% change)
linmin: converged after 4 iterations.
iteration 18: trace = 5.529271313876949 (1.86769e-09% change)
linmin: converged after 9 iterations.
iteration 19: trace = 5.529271313777745 (1.79416e-09% change)
linmin: converged after 10 iterations.
iteration 20: trace = 5.529271313733425 (8.01554e-10% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.529271313721345 (2.18476e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.529271313719442 (3.44074e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088
elapsed time for k point: 0.6983532905578613
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.538985517440993 (0.141109% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.534550185464449 (0.0801069% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.533288931112328 (0.0227913% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.532631711817137 (0.0118783% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.53234281599609 (0.00522181% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.53223657988553 (0.00192029% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.532184612246417 (0.000939365% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.532165289409585 (0.000349281% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.532156997902877 (0.000149878% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.532154378963378 (4.73403e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 5.532153853741136 (9.49399e-06% change)
linmin: converged after 19 iterations.
iteration 12: trace = 5.532153673436563 (3.25921e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.532153624609109 (8.82612e-07% change)
linmin: converged after 22 iterations.
iteration 14: trace = 5.532153611036557 (2.45339e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.532153607469198 (6.44841e-08% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.53215360667281 (1.43956e-08% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.532153606425389 (4.47241e-09% change)
linmin: converged after 8 iterations.
iteration 18: trace = 5.532153606309882 (2.08793e-09% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.532153606238234 (1.29511e-09% change)
linmin: converged after 2 iterations.
iteration 20: trace = 5.532153606171855 (1.19987e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.532153606115742 (1.01431e-09% change)
linmin: converged after 5 iterations.
iteration 22: trace = 5.532153606087498 (5.10544e-10% change)
linmin: converged after 9 iterations.
iteration 23: trace = 5.532153606073366 (2.55449e-10% change)
linmin: converged after 2 iterations.
iteration 24: trace = 5.532153606068913 (8.04829e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081
elapsed time for k point: 0.5148484706878662
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.545510165467745 (0.156486% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.53970135059004 (0.104803% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.537423366333685 (0.0411295% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.53586963592839 (0.0280627% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.535105335921418 (0.0138073% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.53483989949765 (0.00479562% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.534735453565166 (0.00188708% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.534709296156107 (0.000472606% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.534699673866186 (0.000173854% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.534696883149079 (5.04222e-05% change)
linmin: converged after 2 iterations.
iteration 11: trace = 5.534696297656591 (1.05786e-05% change)
linmin: converged after 14 iterations.
iteration 12: trace = 5.534696086069424 (3.82292e-06% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.53469602314202 (1.13696e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.534696003432271 (3.56113e-07% change)
linmin: converged after 4 iterations.
iteration 15: trace = 5.534695997023228 (1.15798e-07% change)
linmin: converged after 2 iterations.
iteration 16: trace = 5.534695995144553 (3.39436e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.534695994510908 (1.14486e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.534695994207878 (5.47511e-09% change)
linmin: converged after 3 iterations.
iteration 19: trace = 5.5346959940304 (3.20664e-09% change)
linmin: converged after 3 iterations.
iteration 20: trace = 5.534695993871268 (2.87518e-09% change)
linmin: converged after 4 iterations.
iteration 21: trace = 5.534695993784571 (1.56643e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.534695993753228 (5.66299e-10% change)
linmin: converged after 4 iterations.
iteration 23: trace = 5.534695993742769 (1.88975e-10% change)
linmin: converged after 5 iterations.
iteration 24: trace = 5.534695993739172 (6.49922e-11% change)
Finished solving for bands 1 to 8 after 24 iterations.
tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059
elapsed time for k point: 0.5977420806884766
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.539951339883141 (0.178088% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.532912895849107 (0.12713% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.529976673732058 (0.0530824% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.528255687466592 (0.0311259% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.527477327141156 (0.0140807% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.527260627433182 (0.00392049% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.527174950010774 (0.0015501% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.527154244268946 (0.000374618% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.527144578125399 (0.000174885% change)
linmin: converged after 2 iterations.
iteration 10: trace = 5.527141353729437 (5.83375e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.52714047204988 (1.59518e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.527140149104516 (5.8429e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.527140063332192 (1.55184e-06% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.527140039497725 (4.31226e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.527140030767502 (1.57952e-07% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.527140027391177 (6.10863e-08% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.527140025708307 (3.04474e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.527140024739852 (1.75218e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 5.52714002424972 (8.86774e-09% change)
linmin: converged after 20 iterations.
iteration 20: trace = 5.527140024034409 (3.89551e-09% change)
linmin: converged after 6 iterations.
iteration 21: trace = 5.527140023982141 (9.45668e-10% change)
linmin: converged after 2 iterations.
iteration 22: trace = 5.527140023969882 (2.2179e-10% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.52714002396694 (5.32379e-11% change)
Finished solving for bands 1 to 8 after 23 iterations.
tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024
elapsed time for k point: 0.6123685836791992
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.522657858706062 (0.154096% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.517653440237674 (0.0906572% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.515894145977724 (0.0318899% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.515136110127324 (0.0137437% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.514757022135015 (0.00687383% change)
linmin: converged after 9 iterations.
iteration 6: trace = 5.514652113037966 (0.00190235% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.51460223226159 (0.000904518% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.51458988830778 (0.000223841% change)
linmin: converged after 5 iterations.
iteration 9: trace = 5.514584139299526 (0.000104251% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.514582298956625 (3.33723e-05% change)
linmin: converged after 5 iterations.
iteration 11: trace = 5.514581753925806 (9.88345e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.514581551297036 (3.67442e-06% change)
linmin: converged after 7 iterations.
iteration 13: trace = 5.514581501626852 (9.00706e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.514581491384372 (1.85734e-07% change)
linmin: converged after 3 iterations.
iteration 15: trace = 5.514581488005886 (6.12646e-08% change)
linmin: converged after 4 iterations.
iteration 16: trace = 5.514581486953491 (1.90839e-08% change)
linmin: converged after 5 iterations.
iteration 17: trace = 5.514581486665213 (5.22756e-09% change)
linmin: converged after 2 iterations.
iteration 18: trace = 5.514581486577285 (1.59446e-09% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.514581486551827 (4.61646e-10% change)
linmin: converged after 5 iterations.
iteration 20: trace = 5.514581486536881 (2.71032e-10% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.514581486529239 (1.38576e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.514581486526155 (5.592e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983
elapsed time for k point: 0.5143468379974365
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.513146354884038 (0.11801% change)
linmin: converged after 3 iterations.
iteration 2: trace = 5.510121677342223 (0.0548781% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.509211811143168 (0.016514% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.508907839981807 (0.00551766% change)
linmin: converged after 5 iterations.
iteration 5: trace = 5.508737669131326 (0.00308906% change)
linmin: converged after 3 iterations.
iteration 6: trace = 5.508683639257637 (0.000980808% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.508654122067274 (0.000535832% change)
linmin: converged after 5 iterations.
iteration 8: trace = 5.508646692888515 (0.000134864% change)
linmin: converged after 6 iterations.
iteration 9: trace = 5.508643590274298 (5.63226e-05% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.508642644310974 (1.71723e-05% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.508642365130625 (5.06804e-06% change)
linmin: converged after 2 iterations.
iteration 12: trace = 5.508642262323832 (1.86628e-06% change)
linmin: converged after 2 iterations.
iteration 13: trace = 5.508642237881131 (4.43716e-07% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.508642233589994 (7.78983e-08% change)
linmin: converged after 25 iterations.
iteration 15: trace = 5.508642232550771 (1.88653e-08% change)
linmin: converged after 14 iterations.
iteration 16: trace = 5.508642232232832 (5.77163e-09% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.508642232157101 (1.37477e-09% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.508642232135503 (3.92072e-10% change)
linmin: converged after 8 iterations.
iteration 19: trace = 5.508642232131613 (7.06203e-11% change)
Finished solving for bands 1 to 8 after 19 iterations.
tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941
elapsed time for k point: 0.45496487617492676
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.55058118313168 (0.389346% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.542766757881727 (0.140885% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.540530252342748 (0.0403581% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.539782553670689 (0.013496% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.539265295830649 (0.00933759% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.539067918395581 (0.00356331% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.538979756672791 (0.00159165% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.538958695417993 (0.000380238% change)
linmin: converged after 4 iterations.
iteration 9: trace = 5.538951634380074 (0.00012748% change)
linmin: converged after 5 iterations.
iteration 10: trace = 5.538948975756816 (4.79987e-05% change)
linmin: converged after 34 iterations.
iteration 11: trace = 5.538948192460804 (1.41416e-05% change)
linmin: converged after 4 iterations.
iteration 12: trace = 5.538947835307319 (6.44804e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.538947686577418 (2.68517e-06% change)
linmin: converged after 3 iterations.
iteration 14: trace = 5.538947636561977 (9.02977e-07% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.538947618030194 (3.34572e-07% change)
linmin: converged after 6 iterations.
iteration 16: trace = 5.538947613905393 (7.4469e-08% change)
linmin: converged after 23 iterations.
iteration 17: trace = 5.538947613187704 (1.29571e-08% change)
linmin: converged after 3 iterations.
iteration 18: trace = 5.538947612989034 (3.58677e-09% change)
linmin: converged after 14 iterations.
iteration 19: trace = 5.538947612948648 (7.29134e-10% change)
linmin: converged after 4 iterations.
iteration 20: trace = 5.538947612937278 (2.05266e-10% change)
linmin: converged after 2 iterations.
iteration 21: trace = 5.538947612933672 (6.51027e-11% change)
Finished solving for bands 1 to 8 after 21 iterations.
tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866
elapsed time for k point: 0.8739800453186035
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 3 iterations.
iteration 1: trace = 5.647301200631501 (0.329684% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.640927549628191 (0.112926% change)
linmin: converged after 4 iterations.
iteration 3: trace = 5.638790479465311 (0.0378923% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.637897868754246 (0.0158311% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.637265321497329 (0.0112202% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.637035875264385 (0.00407025% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.63693616636827 (0.00176883% change)
linmin: converged after 3 iterations.
iteration 8: trace = 5.636905106755417 (0.000551003% change)
linmin: converged after 3 iterations.
iteration 9: trace = 5.636896042414136 (0.000160804% change)
linmin: converged after 6 iterations.
iteration 10: trace = 5.636893338294109 (4.79718e-05% change)
linmin: converged after 3 iterations.
iteration 11: trace = 5.636892881857397 (8.09731e-06% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.636892759768442 (2.16589e-06% change)
linmin: converged after 3 iterations.
iteration 13: trace = 5.636892722735079 (6.56982e-07% change)
linmin: converged after 2 iterations.
iteration 14: trace = 5.636892712210956 (1.86701e-07% change)
linmin: converged after 11 iterations.
iteration 15: trace = 5.636892708239734 (7.04506e-08% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.636892706830089 (2.50075e-08% change)
linmin: converged after 2 iterations.
iteration 17: trace = 5.636892706179625 (1.15394e-08% change)
linmin: converged after 5 iterations.
iteration 18: trace = 5.636892705778893 (7.10909e-09% change)
linmin: converged after 25 iterations.
iteration 19: trace = 5.636892705608977 (3.01435e-09% change)
linmin: converged after 17 iterations.
iteration 20: trace = 5.636892705551569 (1.01844e-09% change)
linmin: converged after 3 iterations.
iteration 21: trace = 5.636892705530974 (3.65362e-10% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.636892705526575 (7.80421e-11% change)
Finished solving for bands 1 to 8 after 22 iterations.
tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904
elapsed time for k point: 1.4939050674438477
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 5.81850397229077 (0.323359% change)
linmin: converged after 4 iterations.
iteration 2: trace = 5.811864946629663 (0.114167% change)
linmin: converged after 3 iterations.
iteration 3: trace = 5.809596955588935 (0.0390311% change)
linmin: converged after 4 iterations.
iteration 4: trace = 5.808664036810262 (0.0160595% change)
linmin: converged after 4 iterations.
iteration 5: trace = 5.808059684313883 (0.0104049% change)
linmin: converged after 4 iterations.
iteration 6: trace = 5.807780352579567 (0.0048095% change)
linmin: converged after 4 iterations.
iteration 7: trace = 5.807591816898936 (0.00324631% change)
linmin: converged after 4 iterations.
iteration 8: trace = 5.807497036546447 (0.00163202% change)
linmin: converged after 6 iterations.
iteration 9: trace = 5.807463230771267 (0.000582107% change)
linmin: converged after 4 iterations.
iteration 10: trace = 5.807448604624883 (0.000251851% change)
linmin: converged after 4 iterations.
iteration 11: trace = 5.807443106317811 (9.46769e-05% change)
linmin: converged after 5 iterations.
iteration 12: trace = 5.807439494876407 (6.21864e-05% change)
linmin: converged after 4 iterations.
iteration 13: trace = 5.807437481552951 (3.4668e-05% change)
linmin: converged after 4 iterations.
iteration 14: trace = 5.807436670284366 (1.39695e-05% change)
linmin: converged after 2 iterations.
iteration 15: trace = 5.8074362899604 (6.54891e-06% change)
linmin: converged after 3 iterations.
iteration 16: trace = 5.807436162892381 (2.18802e-06% change)
linmin: converged after 3 iterations.
iteration 17: trace = 5.807436126334483 (6.29502e-07% change)
linmin: converged after 10 iterations.
iteration 18: trace = 5.807436116187895 (1.74717e-07% change)
linmin: converged after 2 iterations.
iteration 19: trace = 5.807436113287418 (4.99442e-08% change)
linmin: converged after 26 iterations.
iteration 20: trace = 5.807436112416768 (1.4992e-08% change)
linmin: converged after 20 iterations.
iteration 21: trace = 5.807436112088622 (5.65045e-09% change)
linmin: converged after 3 iterations.
iteration 22: trace = 5.807436111990087 (1.6967e-09% change)
linmin: converged after 5 iterations.
iteration 23: trace = 5.80743611192849 (1.06067e-09% change)
linmin: converged after 18 iterations.
iteration 24: trace = 5.807436111892699 (6.16295e-10% change)
linmin: converged after 18 iterations.
iteration 25: trace = 5.807436111861502 (5.3718e-10% change)
linmin: converged after 12 iterations.
iteration 26: trace = 5.807436111844974 (2.84603e-10% change)
linmin: converged after 5 iterations.
iteration 27: trace = 5.807436111839936 (8.67618e-11% change)
Finished solving for bands 1 to 8 after 27 iterations.
tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098
elapsed time for k point: 1.21335768699646
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 6.058568816406898 (0.404469% change)
linmin: converged after 4 iterations.
iteration 2: trace = 6.04721742344514 (0.187537% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.042869353635004 (0.0719279% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.041115569071556 (0.0290266% change)
linmin: converged after 3 iterations.
iteration 5: trace = 6.040281476957797 (0.0138079% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.039949783541616 (0.00549151% change)
linmin: converged after 3 iterations.
iteration 7: trace = 6.039732337732497 (0.00360019% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.039536476498213 (0.00324293% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.039366429150525 (0.00281561% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.039238347543028 (0.0021208% change)
linmin: converged after 3 iterations.
iteration 11: trace = 6.039190527154683 (0.000791831% change)
linmin: converged after 4 iterations.
iteration 12: trace = 6.039166804291311 (0.000392816% change)
linmin: converged after 4 iterations.
iteration 13: trace = 6.039155082215228 (0.000194101% change)
linmin: converged after 3 iterations.
iteration 14: trace = 6.039151356031253 (6.17004e-05% change)
linmin: converged after 3 iterations.
iteration 15: trace = 6.039149892355141 (2.42365e-05% change)
linmin: converged after 3 iterations.
iteration 16: trace = 6.03914929136149 (9.95163e-06% change)
linmin: converged after 4 iterations.
iteration 17: trace = 6.039148998716702 (4.8458e-06% change)
linmin: converged after 3 iterations.
iteration 18: trace = 6.039148870832842 (2.11758e-06% change)
linmin: converged after 2 iterations.
iteration 19: trace = 6.039148806998378 (1.05701e-06% change)
linmin: converged after 9 iterations.
iteration 20: trace = 6.039148770819057 (5.9908e-07% change)
linmin: converged after 4 iterations.
iteration 21: trace = 6.039148755038091 (2.61311e-07% change)
linmin: converged after 4 iterations.
iteration 22: trace = 6.039148750226737 (7.96694e-08% change)
linmin: converged after 4 iterations.
iteration 23: trace = 6.039148748437228 (2.96318e-08% change)
linmin: converged after 6 iterations.
iteration 24: trace = 6.039148747735011 (1.16277e-08% change)
linmin: converged after 15 iterations.
iteration 25: trace = 6.039148747103849 (1.04512e-08% change)
linmin: converged after 4 iterations.
iteration 26: trace = 6.039148746498665 (1.0021e-08% change)
linmin: converged after 17 iterations.
iteration 27: trace = 6.039148745995296 (8.3351e-09% change)
linmin: converged after 22 iterations.
iteration 28: trace = 6.039148745700736 (4.87751e-09% change)
linmin: converged after 2 iterations.
iteration 29: trace = 6.039148745569349 (2.17558e-09% change)
linmin: converged after 9 iterations.
iteration 30: trace = 6.039148745510188 (9.79634e-10% change)
linmin: converged after 3 iterations.
iteration 31: trace = 6.039148745490023 (3.33908e-10% change)
linmin: converged after 4 iterations.
iteration 32: trace = 6.039148745481262 (1.45055e-10% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.039148745478512 (4.55476e-11% change)
Finished solving for bands 1 to 8 after 33 iterations.
tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448
elapsed time for k point: 1.2731895446777344
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 6 iterations.
iteration 1: trace = 6.298730915282703 (0.895356% change)
linmin: converged after 5 iterations.
iteration 2: trace = 6.245437546870506 (0.849692% change)
linmin: converged after 4 iterations.
iteration 3: trace = 6.223334153904172 (0.35454% change)
linmin: converged after 4 iterations.
iteration 4: trace = 6.211975635423668 (0.182682% change)
linmin: converged after 4 iterations.
iteration 5: trace = 6.208144497514124 (0.0616924% change)
linmin: converged after 3 iterations.
iteration 6: trace = 6.206836175370947 (0.0210765% change)
linmin: converged after 4 iterations.
iteration 7: trace = 6.206168982920777 (0.0107499% change)
linmin: converged after 4 iterations.
iteration 8: trace = 6.205804637846104 (0.00587086% change)
linmin: converged after 4 iterations.
iteration 9: trace = 6.205532505965657 (0.00438521% change)
linmin: converged after 4 iterations.
iteration 10: trace = 6.205428325423721 (0.00167885% change)
linmin: converged after 4 iterations.
iteration 11: trace = 6.205403953116506 (0.000392759% change)
linmin: converged after 5 iterations.
iteration 12: trace = 6.20538969590178 (0.000229755% change)
linmin: converged after 7 iterations.
iteration 13: trace = 6.205378818817865 (0.000175285% change)
linmin: converged after 5 iterations.
iteration 14: trace = 6.20536902289189 (0.000157862% change)
linmin: converged after 5 iterations.
iteration 15: trace = 6.205362148408646 (0.000110783% change)
linmin: converged after 5 iterations.
iteration 16: trace = 6.205354260895072 (0.000127108% change)
linmin: converged after 5 iterations.
iteration 17: trace = 6.205347521570035 (0.000108605% change)
linmin: converged after 5 iterations.
iteration 18: trace = 6.205343387171488 (6.66264e-05% change)
linmin: converged after 5 iterations.
iteration 19: trace = 6.205340291030811 (4.98948e-05% change)
linmin: converged after 3 iterations.
iteration 20: trace = 6.205338895535662 (2.24886e-05% change)
linmin: converged after 2 iterations.
iteration 21: trace = 6.205338348829109 (8.81026e-06% change)
linmin: converged after 2 iterations.
iteration 22: trace = 6.205338035122341 (5.05543e-06% change)
linmin: converged after 2 iterations.
iteration 23: trace = 6.205337843117912 (3.09418e-06% change)
linmin: converged after 4 iterations.
iteration 24: trace = 6.205337736263818 (1.72197e-06% change)
linmin: converged after 2 iterations.
iteration 25: trace = 6.205337681834875 (8.77131e-07% change)
linmin: converged after 2 iterations.
iteration 26: trace = 6.205337658438703 (3.77033e-07% change)
linmin: converged after 3 iterations.
iteration 27: trace = 6.205337650174807 (1.33174e-07% change)
linmin: converged after 14 iterations.
iteration 28: trace = 6.205337648379766 (2.89274e-08% change)
linmin: converged after 2 iterations.
iteration 29: trace = 6.205337647812921 (9.1348e-09% change)
linmin: converged after 4 iterations.
iteration 30: trace = 6.205337647526122 (4.62181e-09% change)
linmin: converged after 5 iterations.
iteration 31: trace = 6.20533764730531 (3.55842e-09% change)
linmin: converged after 5 iterations.
iteration 32: trace = 6.205337647187882 (1.89237e-09% change)
linmin: converged after 3 iterations.
iteration 33: trace = 6.205337647139041 (7.87079e-10% change)
linmin: converged after 3 iterations.
iteration 34: trace = 6.205337647127357 (1.88289e-10% change)
linmin: converged after 4 iterations.
iteration 35: trace = 6.205337647122205 (8.30305e-11% change)
Finished solving for bands 2 to 8 after 35 iterations.
tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681
elapsed time for k point: 0.7232084274291992
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675781 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.47307223902807555 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714026 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839764 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.7676614799039021 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191518 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.8651948144415254 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594292 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8652307994936865 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041982 at Vector3<0.0, 0.0, 0.0>
Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575196 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.116810719125538 at Vector3<0.0, 0.0, 0.0>
Gap from band 2 (0.5631059378714026) to band 3 (0.5631505198559037), 0.00791684419568924%
Gap from band 4 (0.8214230044191518) to band 5 (0.8651948144415254), 5.190483526604943%
total elapsed time for run: 11.89547061920166
done
epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill"
Read lattice vectors
Read Bloch wavevector (0, 0, 0)
Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1)
Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3)
Input data is rank 2, size 32x32x1.
Output data 96x83x1
real part range: 1 .. 12
./tmp/meepNmMUdV/test_tri_rods-0: 16.12s
/tmp/meepNmMUdV/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: 0.01587224006652832
solve_kpoint (0,0,0):
tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
Solving for bands 2 to 8...
near maximum in trace
linmin: converged after 10 iterations.
iteration 1: trace = 13.46696798403985 (196.169% change)
linmin: converged after 7 iterations.
iteration 2: trace = 5.440830280549298 (84.8976% change)
linmin: converged after 6 iterations.
iteration 3: trace = 4.843527011222883 (11.6158% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.66870088544199 (3.67582% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.608869323792535 (1.28981% change)
linmin: converged after 7 iterations.
iteration 6: trace = 4.588596019692758 (0.440845% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.580741637917265 (0.171318% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.578987295161925 (0.0383056% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.578322878448378 (0.0145112% change)
linmin: converged after 5 iterations.
iteration 10: trace = 4.578003942463452 (0.00696646% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.577929653765434 (0.00162274% change)
linmin: converged after 6 iterations.
iteration 12: trace = 4.577907037545209 (0.000494028% change)
linmin: converged after 5 iterations.
iteration 13: trace = 4.577897255801765 (0.000213673% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.577895086336243 (4.739e-05% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.577894696365689 (8.51856e-06% change)
linmin: converged after 2 iterations.
iteration 16: trace = 4.577894636935326 (1.2982e-06% change)
linmin: converged after 2 iterations.
iteration 17: trace = 4.577894629221467 (1.68502e-07% change)
linmin: converged after 2 iterations.
iteration 18: trace = 4.57789462756871 (3.6103e-08% change)
linmin: converged after 4 iterations.
iteration 19: trace = 4.577894626939197 (1.37511e-08% change)
linmin: converged after 4 iterations.
iteration 20: trace = 4.577894626693616 (5.3645e-09% change)
linmin: converged after 15 iterations.
iteration 21: trace = 4.577894626612534 (1.77116e-09% change)
linmin: converged after 6 iterations.
iteration 22: trace = 4.577894626584479 (6.12834e-10% change)
linmin: converged after 6 iterations.
iteration 23: trace = 4.577894626574802 (2.11398e-10% change)
linmin: converged after 4 iterations.
iteration 24: trace = 4.5778946265728 (4.37309e-11% change)
Finished solving for bands 2 to 8 after 24 iterations.
tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
elapsed time for k point: 0.44440126419067383
solve_kpoint (0,0.1,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.573594159720262 (1.05882% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.553362423580538 (0.44334% change)
linmin: converged after 3 iterations.
iteration 3: trace = 4.549198778889009 (0.0914829% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.547235691259334 (0.0431617% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.546720480078173 (0.0113308% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.546675795887485 (0.000982783% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.546668812199721 (0.0001536% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.546667474444718 (2.94228e-05% change)
linmin: converged after 14 iterations.
iteration 9: trace = 4.546667093982197 (8.36794e-06% change)
linmin: converged after 9 iterations.
iteration 10: trace = 4.546667026314714 (1.48829e-06% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.546667010167351 (3.55147e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.546667005947772 (9.2806e-08% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.546667004173658 (3.90201e-08% change)
linmin: converged after 2 iterations.
iteration 14: trace = 4.546667003528522 (1.41892e-08% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.546667003425869 (2.25776e-09% change)
linmin: converged after 9 iterations.
iteration 16: trace = 4.54666700341108 (3.25273e-10% change)
linmin: converged after 6 iterations.
iteration 17: trace = 4.546667003406387 (1.03202e-10% change)
linmin: converged after 3 iterations.
iteration 18: trace = 4.546667003404458 (4.24294e-11% change)
Finished solving for bands 1 to 8 after 18 iterations.
tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637
elapsed time for k point: 0.31322479248046875
solve_kpoint (0,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.480154501467132 (1.0243% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.462951577209417 (0.384719% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.458417513621942 (0.101645% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.456998073935472 (0.0318424% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.456802317102539 (0.00439222% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.456776714934252 (0.000574453% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.456772279362192 (9.95243e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.456771848143078 (9.67559e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.45677180550385 (9.56729e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.456771799201279 (1.41416e-07% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.45677179734536 (4.16427e-08% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.456771796664022 (1.52877e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.456771796571509 (2.07578e-09% change)
linmin: converged after 5 iterations.
iteration 14: trace = 4.45677179656453 (1.566e-10% change)
linmin: converged after 10 iterations.
iteration 15: trace = 4.456771796562707 (4.08938e-11% change)
Finished solving for bands 1 to 8 after 15 iterations.
tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281
elapsed time for k point: 0.46847081184387207
solve_kpoint (0,0.3,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.372440119410638 (0.691847% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.36628268566883 (0.140923% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.364947654944968 (0.0305806% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.3646267634637 (0.00735182% change)
linmin: converged after 8 iterations.
iteration 5: trace = 4.364572744594435 (0.00123766% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.364566107346525 (0.000152071% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.364565316740353 (1.81142e-05% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.364565239126187 (1.77828e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.364565234500088 (1.05992e-07% change)
linmin: converged after 16 iterations.
iteration 10: trace = 4.364565233724118 (1.77789e-08% change)
linmin: converged after 3 iterations.
iteration 11: trace = 4.364565233381509 (7.8498e-09% change)
linmin: converged after 3 iterations.
iteration 12: trace = 4.364565233306729 (1.71333e-09% change)
linmin: converged after 4 iterations.
iteration 13: trace = 4.364565233299629 (1.62676e-10% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.364565233298256 (3.14607e-11% change)
Finished solving for bands 1 to 8 after 14 iterations.
tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598
elapsed time for k point: 0.6597509384155273
solve_kpoint (0,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.308394919604914 (0.552361% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.304883211984217 (0.0815417% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.304231324865023 (0.0151441% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.304101774804954 (0.00300988% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.304072509722032 (0.000679937% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.304070117659418 (5.55767e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.304069984297111 (3.09852e-06% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.304069968915966 (3.57363e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.304069965945501 (6.90153e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.304069964779024 (2.71017e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.304069964479551 (6.95791e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.304069964440697 (9.02712e-10% change)
linmin: converged after 15 iterations.
iteration 13: trace = 4.304069964437605 (7.18332e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409
elapsed time for k point: 0.4061267375946045
solve_kpoint (0,0.5,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.287294007238569 (0.514399% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.284124961328378 (0.0739445% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283595116492505 (0.0123684% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.283502303118701 (0.00216674% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.283478596024282 (0.000553453% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.283477154458746 (3.36541e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.283477077810691 (1.78939e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283477070330028 (1.7464e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283477066817817 (8.19944e-08% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.283477065770438 (2.44516e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.283477065633829 (3.18919e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.283477065618206 (3.64749e-10% change)
linmin: converged after 7 iterations.
iteration 13: trace = 4.283477065616429 (4.147e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087
elapsed time for k point: 0.38086891174316406
solve_kpoint (-0.0666667,0.466667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.276566747825642 (0.530593% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.266858088831401 (0.227278% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.264882331994833 (0.0463154% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.264548458692772 (0.00782874% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.26448873054892 (0.00140058% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.264476449097828 (0.000287994% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.264474782181725 (3.90884e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.264474642738402 (3.26988e-06% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.264474631967129 (2.52581e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.264474631257338 (1.66443e-08% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.264474631203496 (1.26258e-09% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.264474631199774 (8.72667e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895
elapsed time for k point: 0.28272128105163574
solve_kpoint (-0.133333,0.433333,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.232489072565435 (0.358169% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.229105412374738 (0.0799769% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.228655882204028 (0.01063% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.228604967100097 (0.00120406% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.228597156343838 (0.000184713% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.228595847507816 (3.0952e-05% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.228595668484545 (4.23363e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.22859565366972 (3.50349e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.228595652361877 (3.09285e-08% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.2285956522714 (2.13965e-09% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.228595652264813 (1.55766e-10% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.228595652264468 (8.17059e-12% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413
elapsed time for k point: 0.29967284202575684
solve_kpoint (-0.2,0.4,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.198038763849336 (0.248355% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.19670478415921 (0.0317813% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.196585228731932 (0.00284883% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.196578318037075 (0.000164674% change)
linmin: converged after 11 iterations.
iteration 5: trace = 4.196577861660904 (1.0875e-05% change)
linmin: converged after 3 iterations.
iteration 6: trace = 4.196577824465233 (8.86333e-07% change)
linmin: converged after 4 iterations.
iteration 7: trace = 4.196577821831923 (6.2749e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.196577821279777 (1.31571e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.196577821233545 (1.10167e-09% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.19657782122971 (9.13665e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487
elapsed time for k point: 0.3197212219238281
solve_kpoint (-0.266667,0.366667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.176560952862092 (0.20622% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.175731928735225 (0.0198514% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.175658188677833 (0.00176593% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.175652343488816 (0.000139983% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.175651823639798 (1.24495e-05% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.175651765087073 (1.40224e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.175651761832766 (7.79353e-08% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.175651761361387 (1.12888e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.175651761335724 (6.14587e-10% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.17565176133351 (5.30059e-11% change)
Finished solving for bands 1 to 8 after 10 iterations.
tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597
elapsed time for k point: 0.23403525352478027
solve_kpoint (-0.333333,0.333333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.169192632974824 (0.188262% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.168494135847979 (0.0167552% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.168418925223788 (0.00180428% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.16841215172734 (0.000162496% change)
linmin: converged after 2 iterations.
iteration 5: trace = 4.168411725528161 (1.02245e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.168411690634318 (8.37102e-07% change)
linmin: converged after 2 iterations.
iteration 7: trace = 4.168411689651686 (2.35733e-08% change)
linmin: converged after 3 iterations.
iteration 8: trace = 4.168411689612855 (9.31558e-10% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.168411689609144 (8.90221e-11% change)
Finished solving for bands 1 to 8 after 9 iterations.
tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925
elapsed time for k point: 0.20217132568359375
solve_kpoint (-0.266667,0.266667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.201218407861228 (0.720819% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.198256255957315 (0.0705318% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.197890564842538 (0.00871093% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.197857649510745 (0.000784095% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.197854429378011 (7.6709e-05% change)
linmin: converged after 2 iterations.
iteration 6: trace = 4.197854075525584 (8.42936e-06% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.197854052380288 (5.5136e-07% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.197854050415341 (4.68084e-08% change)
linmin: converged after 4 iterations.
iteration 9: trace = 4.197854050317017 (2.34224e-09% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.197854050309861 (1.70469e-10% change)
linmin: converged after 8 iterations.
iteration 11: trace = 4.1978540503093 (1.33506e-11% change)
Finished solving for bands 1 to 8 after 11 iterations.
tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925
elapsed time for k point: 0.23175787925720215
solve_kpoint (-0.2,0.2,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.288243522338977 (0.732668% change)
linmin: converged after 4 iterations.
iteration 2: trace = 4.283958408011071 (0.099977% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.283371588299238 (0.013699% change)
linmin: converged after 6 iterations.
iteration 4: trace = 4.283281438838008 (0.00210466% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.283267824693609 (0.000317844% change)
linmin: converged after 4 iterations.
iteration 6: trace = 4.283266579370459 (2.90741e-05% change)
linmin: converged after 3 iterations.
iteration 7: trace = 4.283266497834246 (1.9036e-06% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.283266490102652 (1.80507e-07% change)
linmin: converged after 2 iterations.
iteration 9: trace = 4.283266489093188 (2.35676e-08% change)
linmin: converged after 4 iterations.
iteration 10: trace = 4.283266489000646 (2.16055e-09% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.283266488991159 (2.21481e-10% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.283266488990683 (1.11145e-11% change)
Finished solving for bands 1 to 8 after 12 iterations.
tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199
elapsed time for k point: 0.2616558074951172
solve_kpoint (-0.133333,0.133333,0):
Solving for bands 1 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.420129679060166 (0.818903% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.412260674164765 (0.178185% change)
linmin: converged after 4 iterations.
iteration 3: trace = 4.410633634426059 (0.0368822% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.410197926814339 (0.00987906% change)
linmin: converged after 5 iterations.
iteration 5: trace = 4.410114427040232 (0.00189335% change)
linmin: converged after 5 iterations.
iteration 6: trace = 4.410103889016638 (0.000238952% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.410102421711942 (3.32714e-05% change)
linmin: converged after 2 iterations.
iteration 8: trace = 4.410102293698954 (2.90272e-06% change)
linmin: converged after 3 iterations.
iteration 9: trace = 4.410102277309537 (3.71633e-07% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.410102274815383 (5.65555e-08% change)
linmin: converged after 4 iterations.
iteration 11: trace = 4.410102274561979 (5.746e-09% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.410102274546347 (3.54458e-10% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.410102274545241 (2.50738e-11% change)
Finished solving for bands 1 to 8 after 13 iterations.
tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113
elapsed time for k point: 0.2880551815032959
solve_kpoint (-0.0666667,0.0666667,0):
Solving for bands 1 to 8...
linmin: converged after 5 iterations.
iteration 1: trace = 4.563328932101568 (1.027% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.544560398258571 (0.412138% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.537741031323366 (0.150168% change)
linmin: converged after 5 iterations.
iteration 4: trace = 4.535260913319917 (0.0546703% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.53459599155331 (0.0146622% change)
linmin: converged after 9 iterations.
iteration 6: trace = 4.534531477384963 (0.00142272% change)
linmin: converged after 5 iterations.
iteration 7: trace = 4.534520999244491 (0.000231075% change)
linmin: converged after 5 iterations.
iteration 8: trace = 4.534518657738523 (5.16374e-05% change)
linmin: converged after 6 iterations.
iteration 9: trace = 4.534517831347479 (1.82245e-05% change)
linmin: converged after 2 iterations.
iteration 10: trace = 4.534517685393298 (3.21874e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.534517644423107 (9.03518e-07% change)
linmin: converged after 2 iterations.
iteration 12: trace = 4.534517627208904 (3.79626e-07% change)
linmin: converged after 2 iterations.
iteration 13: trace = 4.534517623618731 (7.91743e-08% change)
linmin: converged after 18 iterations.
iteration 14: trace = 4.534517622906264 (1.57121e-08% change)
linmin: converged after 4 iterations.
iteration 15: trace = 4.534517622781559 (2.75014e-09% change)
linmin: converged after 3 iterations.
iteration 16: trace = 4.534517622760765 (4.58572e-10% change)
linmin: converged after 5 iterations.
iteration 17: trace = 4.534517622757207 (7.84657e-11% change)
Finished solving for bands 1 to 8 after 17 iterations.
tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149
elapsed time for k point: 0.42695069313049316
solve_kpoint (0,0,0):
Solving for bands 2 to 8...
linmin: converged after 4 iterations.
iteration 1: trace = 4.620932082273709 (1.44492% change)
linmin: converged after 5 iterations.
iteration 2: trace = 4.585858477330472 (0.761907% change)
linmin: converged after 5 iterations.
iteration 3: trace = 4.579350993234653 (0.142004% change)
linmin: converged after 4 iterations.
iteration 4: trace = 4.578211771379689 (0.0248805% change)
linmin: converged after 4 iterations.
iteration 5: trace = 4.577956393189914 (0.00557828% change)
linmin: converged after 6 iterations.
iteration 6: trace = 4.577915173102072 (0.000900408% change)
linmin: converged after 10 iterations.
iteration 7: trace = 4.577900193795437 (0.000327209% change)
linmin: converged after 4 iterations.
iteration 8: trace = 4.57789572495597 (9.76177e-05% change)
linmin: converged after 6 iterations.
iteration 9: trace = 4.577894738564435 (2.15468e-05% change)
linmin: converged after 3 iterations.
iteration 10: trace = 4.577894647524322 (1.98869e-06% change)
linmin: converged after 2 iterations.
iteration 11: trace = 4.577894631981874 (3.39511e-07% change)
linmin: converged after 4 iterations.
iteration 12: trace = 4.57789462756006 (9.65905e-08% change)
linmin: converged after 3 iterations.
iteration 13: trace = 4.577894626684429 (1.91274e-08% change)
linmin: converged after 4 iterations.
iteration 14: trace = 4.577894626586341 (2.14266e-09% change)
linmin: converged after 3 iterations.
iteration 15: trace = 4.577894626573655 (2.77111e-10% change)
linmin: converged after 7 iterations.
iteration 16: trace = 4.577894626572484 (2.55711e-11% change)
Finished solving for bands 2 to 8 after 16 iterations.
tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
..
======================================================================
FAIL: test_diamond (__main__.TestModeSolver.test_diamond)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 906, in test_diamond
self.compare_h5_files(ref_path, res_path)
~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files
self.assertClose(ref[k][()], res[k][()], epsilon=1e-3)
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose
self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg)
~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AssertionError: np.float64(25.582641991783166) not less than or equal to np.float64(0.03691917153659588) :
======================================================================
FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1744, in test_epsilon_input_file
self.check_gap_list(expected_gap_list, ms.gap_list)
~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 213, in check_gap_list
self.check_freqs(expected_gap_list, result)
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 210, in check_freqs
self.assertAlmostEqual(r, e, places=3)
~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^
AssertionError: 1.4651880980147938 != 1.469257717113039 within 3 places (0.004069619098245214 difference)
======================================================================
FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 935, in test_hole_slab
self.compare_h5_files(ref_path, res_path)
~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 235, in compare_h5_files
self.assertEqual(ref[k][()], res[k][()])
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^
AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253'
======================================================================
FAIL: test_strip (__main__.TestModeSolver.test_strip)
----------------------------------------------------------------------
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1194, in test_strip
self.assertAlmostEqual(e, r, places=3)
~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^
AssertionError: -0.9945407488966614 != -0.9950905165812846 within 3 places (0.0005497676846231148 difference)
----------------------------------------------------------------------
Ran 47 tests in 993.454s
FAILED (failures=4)
elapsed time for k point: 0.45888400077819824
Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623629 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 2 range: 0.4453310808471575 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162836 at Vector3<0.0, 0.0, 0.0>
Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.560560794779775 at Vector3<0.0, 0.0, 0.0>
Band 4 range: 0.5932960873585158 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443696 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
Band 5 range: 0.7908320763327565 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.8374511167537543 at Vector3<0.0, 0.0, 0.0>
Band 6 range: 0.8375948528443277 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903452 at Vector3<-0.2, 0.39999999999999997, 0.0>
Band 7 range: 0.8691349955739195 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664884 at Vector3<0.0, 0.0, 0.0>
Band 8 range: 0.8992499095547039 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0983183529156937 at Vector3<0.0, 0.0, 0.0>
Gap from band 1 (0.2746902258623629) to band 2 (0.4453310808471575), 47.39883483854639%
Gap from band 3 (0.560560794779775) to band 4 (0.5932960873585158), 5.6740646236952275%
Gap from band 4 (0.7907195974443696) to band 5 (0.7908320763327565), 0.01422386511321756%
Gap from band 5 (0.8374511167537543) to band 6 (0.8375948528443277), 0.017162047272992302%
Gap from band 6 (0.8672009264903452) to band 7 (0.8691349955739195), 0.2227759109279908%
total elapsed time for run: 5.696939945220947
done
/tmp/meepNmMUdV/test_triangular_lattice-0: 5.70s
/tmp/meepNmMUdV/test_update_band_range_data-0
========================
/tmp/meepNmMUdV/test_update_band_range_data-0: 0.00s
Elapsed run time = 993.7580 s
FAIL tests/test_mpb.py (exit status: 1)
FAIL: tests/test_mode_decomposition
===================================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mode_decomposition.py", line 4, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
FAIL tests/test_mode_decomposition.py (exit status: 1)
FAIL: tests/test_pml_cyl
========================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_pml_cyl.py", line 2, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
FAIL tests/test_pml_cyl.py (exit status: 1)
FAIL: tests/test_refl_angular
=============================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_refl_angular.py", line 6, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
FAIL tests/test_refl_angular.py (exit status: 1)
FAIL: tests/test_special_kz
===========================
Traceback (most recent call last):
File "/build/reproducible-path/meep-1.29.0/python/./tests/test_special_kz.py", line 6, in <module>
import parameterized
ModuleNotFoundError: No module named 'parameterized'
FAIL tests/test_special_kz.py (exit status: 1)
## check whether testsuite runs everywhere
#make check; \
#cat python/test-suite.log
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
create-stamp debian/debhelper-build-stamp
dh_prep
debian/rules override_dh_auto_install
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
dh_installchangelogs NEWS.md
dh_auto_install
make -j1 install DESTDIR=/build/reproducible-path/meep-1.29.0/debian/tmp AM_UPDATE_INFO_DIR=no
make[2]: Entering directory '/build/reproducible-path/meep-1.29.0'
Making install in src
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
make install-recursive
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
Making install in support
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support'
make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support'
make[6]: Nothing to be done for 'install-exec-am'.
make[6]: Nothing to be done for 'install-data-am'.
make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support'
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support'
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu'
/bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu'
libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; })
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; })
libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.la
libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a
libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a
libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libmeep.a
libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include'
/usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
/usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
Making install in tests
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
make[4]: Nothing to be done for 'install-exec-am'.
make[4]: Nothing to be done for 'install-data-am'.
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
Making install in scheme
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
make install-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin'
/bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin'
libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/x86_64-linux-gnu'
libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep'
/usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep'
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
Making install in libpympb
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu'
/bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu'
libtool: warning: relinking 'libpympb.la'
libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/x86_64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0
libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; })
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.33.0.0 libpympb.so; }; })
libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.la
libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a
libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a
libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/libpympb.a
libtool: warning: remember to run 'libtool --finish /usr/lib/x86_64-linux-gnu'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
/usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb'
Making install in python
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
make install-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
/bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
libtool: warning: relinking '_meep.la'
libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0
libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; })
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.33.0.0 _meep.so; }; })
libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.la
libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a
libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a
libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a
libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint'
/usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint'
Byte-compiling python modules...
__init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py
Byte-compiling python modules (optimized versions) ...
__init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py
Byte-compiling python modules (more optimized versions) ...
__init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
/usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
Byte-compiling python modules...
__init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py
Byte-compiling python modules (optimized versions) ...
__init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py
Byte-compiling python modules (more optimized versions) ...
__init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
/bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
libtool: warning: relinking '_mpb.la'
libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -lquadmath -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
libtool: relink: x86_64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crti.o /usr/lib/gcc/x86_64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu -L/usr/lib/x86_64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/14 -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/14/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/14/../../.. -L/usr/lib/x86_64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lquadmath -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/x86_64-linux-gnu/14/crtendS.o /usr/lib/gcc/x86_64-linux-gnu/14/../../../x86_64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/x86_64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0
libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; })
libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.33.0.0 _mpb.so; }; })
libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.la
libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a
libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a
libtool: install: x86_64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a
libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep/mpb'
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
/usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
Byte-compiling python modules...
mpb.py solver.py mpb_data.py
Byte-compiling python modules (optimized versions) ...
mpb.py solver.py mpb_data.py
Byte-compiling python modules (more optimized versions) ...
mpb.py solver.py mpb_data.py
make install-data-hook
make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
mv /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/__init__.py
make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0'
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0'
make[4]: Nothing to be done for 'install-exec-am'.
/usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/pkgconfig'
/usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/x86_64-linux-gnu/pkgconfig'
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0'
make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0'
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a
rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la
rm -f -f debian/tmp/usr/lib/*/libpympb.la
rm -f -f debian/tmp/usr/lib/*/libmeep.la
rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/
rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/
rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
dh_install
dh_installdocs
dh_installchangelogs
dh_installman
dh_lintian
dh_perl
dh_link
dh_strip_nondeterminism
dh_compress
dh_fixperms
dh_missing
dh_dwz -a
dh_strip -a
dh_makeshlibs -a
debian/rules override_dh_shlibdeps
make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
dh_shlibdeps
dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyList_Size: it's probably a plugin
dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all)
dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyExc_OverflowError: it's probably a plugin
dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all)
dh_numpy3
Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57.
dh_numpy3: warning: skipping binary package meep which does not depend on the NumPy C ABI
dh_numpy3: warning: skipping binary package libmeep33 which does not depend on the NumPy C ABI
dh_numpy3: warning: skipping binary package libmeep-dev which does not depend on the NumPy C ABI
make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
dh_installdeb
dh_gencontrol
dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined
dh_md5sums
dh_builddeb
dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-2_amd64.deb'.
dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-2_amd64.deb'.
dpkg-deb: building package 'meep' in '../meep_1.29.0-2_amd64.deb'.
dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-2_amd64.deb'.
dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-2_amd64.deb'.
dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-2_amd64.deb'.
dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-2_amd64.deb'.
dpkg-genbuildinfo --build=binary -O../meep_1.29.0-2_amd64.buildinfo
dpkg-genchanges --build=binary -O../meep_1.29.0-2_amd64.changes
dpkg-genchanges: info: binary-only upload (no source code included)
dpkg-source --after-build .
dpkg-buildpackage: info: binary-only upload (no source included)
dpkg-genchanges: info: not including original source code in upload
I: copying local configuration
I: 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/1714060 and its subdirectories
I: Current time: Sun Mar 23 14:28:45 -12 2025
I: pbuilder-time-stamp: 1742783325
Mon Mar 24 02:28:47 UTC 2025 I: 1st build successful. Starting 2nd build on remote node ionos5-amd64.debian.net.
Mon Mar 24 02:28:47 UTC 2025 I: Preparing to do remote build '2' on ionos5-amd64.debian.net.
Mon Mar 24 07:11:04 UTC 2025 I: Deleting $TMPDIR on ionos5-amd64.debian.net.
Mon Mar 24 07:11:05 UTC 2025 I: meep_1.29.0-2_amd64.changes:
Format: 1.8
Date: Sun, 23 Mar 2025 12:42:08 +0100
Source: meep
Binary: libmeep-dev libmeep33 libmeep33-dbgsym meep meep-dbgsym python3-meep python3-meep-dbgsym
Architecture: amd64
Version: 1.29.0-2
Distribution: unstable
Urgency: medium
Maintainer: Thorsten Alteholz <debian@alteholz.de>
Changed-By: Thorsten Alteholz <debian@alteholz.de>
Description:
libmeep-dev - development library for using meep
libmeep33 - library for using meep
meep - software package for FDTD simulation
python3-meep - software package for FDTD simulation with Python
Closes: 1100468
Changes:
meep (1.29.0-2) unstable; urgency=medium
.
* debian/control: add forgotten Conflict (Closes: #1100468)
Checksums-Sha1:
a2e7574662ebbea598b18de7a7cfed4dd35f5807 510384 libmeep-dev_1.29.0-2_amd64.deb
da9e25fb3c1ee3c89d9513218c884e83d027c83d 3550812 libmeep33-dbgsym_1.29.0-2_amd64.deb
f484e3fdfe436feb69f1aa88207be6b5f2aa1ce1 509856 libmeep33_1.29.0-2_amd64.deb
0ca6735b1f7c30fe4b415b03753d17cee5db2f28 1976072 meep-dbgsym_1.29.0-2_amd64.deb
a6672b08fc9a56af40eff6b492ac2cdfb1a11220 14246 meep_1.29.0-2_amd64.buildinfo
057c3166204472f0c48032457dbf52bda9ab35dc 309100 meep_1.29.0-2_amd64.deb
f23637c35c05bbe056f8925f04e156a03e633366 4934308 python3-meep-dbgsym_1.29.0-2_amd64.deb
bbbf3b4ae79519bf7646d1367c1326ea08cbcf94 872444 python3-meep_1.29.0-2_amd64.deb
Checksums-Sha256:
96dd592c7f8095e91a9626746ffbec5df00be62aff98c13af7b31aa31cdb91ff 510384 libmeep-dev_1.29.0-2_amd64.deb
a4875a74a85188e426bebd4b63ec7cf3cb259457077143f203d3aa9c72e820bd 3550812 libmeep33-dbgsym_1.29.0-2_amd64.deb
a4d9d82f1cd44510a331771b42b69570db59141d884d746c4dde413b364e0ed4 509856 libmeep33_1.29.0-2_amd64.deb
084dc70c6042c6ae655bb45dafe0f5827e23c792656d48c2233b77158c833330 1976072 meep-dbgsym_1.29.0-2_amd64.deb
31e2ee80baf5340503defcb1fbc8b8db4cf10b5593f3a6c42204a5a4d3f260cf 14246 meep_1.29.0-2_amd64.buildinfo
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2fe7b1029f9cf8c5e14f41c0b3ce8e4feda2bda056395cc00ba6d5c14d87ec06 872444 python3-meep_1.29.0-2_amd64.deb
Files:
77887cbe8d0ef1bc529f985c649b0ea5 510384 libdevel optional libmeep-dev_1.29.0-2_amd64.deb
fc639f46f8ad1edc2bc658abfdb45ac2 3550812 debug optional libmeep33-dbgsym_1.29.0-2_amd64.deb
faf4a5eeb1da3d05d45618699baf0533 509856 libs optional libmeep33_1.29.0-2_amd64.deb
2236d59199b182077b4a1b12be91e0d6 1976072 debug optional meep-dbgsym_1.29.0-2_amd64.deb
36314b474f62ab7a299785a916f0a393 14246 science optional meep_1.29.0-2_amd64.buildinfo
1f7d5d0015d5fcf30f1abf2fb7fee48f 309100 science optional meep_1.29.0-2_amd64.deb
299584ce03aea6876798b0afcf7ce259 4934308 debug optional python3-meep-dbgsym_1.29.0-2_amd64.deb
850b3e8295271d64bd3c667c15504aa5 872444 python optional python3-meep_1.29.0-2_amd64.deb
Mon Mar 24 07:11:09 UTC 2025 I: diffoscope 291 will be used to compare the two builds:
Running as unit: rb-diffoscope-amd64_13-35961.service
# Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.mdYaW2HY/meep_1.29.0-2.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.mdYaW2HY/meep_1.29.0-2.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.mdYaW2HY/meep_1.29.0-2.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.mdYaW2HY/b1/meep_1.29.0-2_amd64.changes /srv/reproducible-results/rbuild-debian/r-b-build.mdYaW2HY/b2/meep_1.29.0-2_amd64.changes
## command (total time: 0.000s)
0.000s 1 call cmp (internal)
## has_same_content_as (total time: 0.000s)
0.000s 1 call diffoscope.comparators.binary.FilesystemFile
## main (total time: 0.004s)
0.004s 2 calls outputs
0.000s 1 call cleanup
Finished with result: success
Main processes terminated with: code=exited/status=0
Service runtime: 238ms
CPU time consumed: 236ms
Mon Mar 24 07:11:10 UTC 2025 I: diffoscope 291 found no differences in the changes files, and a .buildinfo file also exists.
Mon Mar 24 07:11:10 UTC 2025 I: meep from unstable built successfully and reproducibly on amd64.
Mon Mar 24 07:11:11 UTC 2025 I: Submitting .buildinfo files to external archives:
Mon Mar 24 07:11:11 UTC 2025 I: Submitting 16K b1/meep_1.29.0-2_amd64.buildinfo.asc
Mon Mar 24 07:11:13 UTC 2025 I: Submitting 16K b2/meep_1.29.0-2_amd64.buildinfo.asc
Mon Mar 24 07:11:17 UTC 2025 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit.
Mon Mar 24 07:11:17 UTC 2025 I: Done submitting .buildinfo files.
Mon Mar 24 07:11:17 UTC 2025 I: Removing signed meep_1.29.0-2_amd64.buildinfo.asc files:
removed './b1/meep_1.29.0-2_amd64.buildinfo.asc'
removed './b2/meep_1.29.0-2_amd64.buildinfo.asc'