I: pbuilder: network access will be disabled during build I: Current time: Fri Oct 11 13:34:31 -12 2024 I: pbuilder-time-stamp: 1728696871 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: using eatmydata during job I: Copying source file I: copying [elkcode_9.6.8-1.dsc] I: copying [./elkcode_9.6.8.orig.tar.gz] I: copying [./elkcode_9.6.8-1.debian.tar.xz] I: Extracting source gpgv: Signature made Sun Jun 30 20:39:55 2024 gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0 gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./elkcode_9.6.8-1.dsc: no acceptable signature found dpkg-source: info: extracting elkcode in elkcode-9.6.8 dpkg-source: info: unpacking elkcode_9.6.8.orig.tar.gz dpkg-source: info: unpacking elkcode_9.6.8-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying default_data_directory.patch dpkg-source: info: applying makeflags.patch dpkg-source: info: applying testsuite_quick.patch dpkg-source: info: applying makefile_clean.patch dpkg-source: info: applying ls_locale_for_reproducible_order.patch I: using fakeroot in build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/60455/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='i386' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=11 ' DISTRIBUTION='unstable' HOME='/root' HOST_ARCH='i386' IFS=' ' INVOCATION_ID='fda4d2c6f2fa429db28669647a0fa37c' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' LD_LIBRARY_PATH='/usr/lib/libeatmydata' LD_PRELOAD='libeatmydata.so' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='60455' 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.1uY167c5/pbuilderrc_rKb3 --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.1uY167c5/b1 --logfile b1/build.log elkcode_9.6.8-1.dsc' SUDO_GID='112' SUDO_UID='107' 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 ionos12-i386 6.1.0-26-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.112-1 (2024-09-30) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin I: user script /srv/workspace/pbuilder/60455/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: i386 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: debhelper-compat (= 13), gfortran, libblas-dev, libfftw3-dev, liblapack-dev, libwannier90-dev, libxc-dev (>= 5.0.0-1), mpi-default-bin, mpi-default-dev, pkg-config, texlive-latex-extra dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19785 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 debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on libwannier90-dev; however: Package libwannier90-dev is not installed. pbuilder-satisfydepends-dummy depends on libxc-dev (>= 5.0.0-1); however: Package libxc-dev is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-bin; however: Package mpi-default-bin is not installed. pbuilder-satisfydepends-dummy depends on mpi-default-dev; however: Package mpi-default-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on texlive-latex-extra; however: Package texlive-latex-extra is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bsdextrautils{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} dwz{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lmodern{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-i686-linux-gnu{a} gfortran-i686-linux-gnu{a} groff-base{a} hwloc-nox{a} intltool-debian{a} libapache-pom-java{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli1{a} libcairo2{a} libcom-err2{a} libcommons-logging-java{a} libcommons-parent-java{a} libdebhelper-perl{a} libelf1t64{a} libexpat1{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-quad3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontbox-java{a} libfontconfig1{a} libfreetype6{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgraphite2-3{a} libgssapi-krb5-2{a} libharfbuzz0b{a} libhwloc-dev{a} libhwloc15{a} libice6{a} libicu72{a} libk5crypto3{a} libkeyutils1{a} libkpathsea6{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} libltdl-dev{a} libltdl7{a} libmagic-mgc{a} libmagic1t64{a} libmpfi0{a} libmpich-dev{a} libmpich12{a} libnsl2{a} libnuma-dev{a} libnuma1{a} libpaper-utils{a} libpaper1{a} libpdfbox-java{a} libpipeline1{a} libpixman-1-0{a} libpkgconf3{a} libpng16-16t64{a} libpotrace0{a} libptexenc1{a} libpython3-stdlib{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libreadline8t64{a} libslurm41t64{a} libsm6{a} libsynctex2{a} libteckit0{a} libtexlua53-5{a} libtirpc-common{a} libtirpc3t64{a} libtool{a} libuchardet0{a} libwannier90-dev{a} libx11-6{a} libx11-data{a} libxau6{a} libxaw7{a} libxc-dev{a} libxc9{a} libxcb-render0{a} libxcb-shm0{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxi6{a} libxml2{a} libxmu6{a} libxpm4{a} libxrender1{a} libxt6t64{a} libzzip-0-13t64{a} m4{a} man-db{a} media-types{a} mpi-default-bin{a} mpi-default-dev{a} mpich{a} netbase{a} pkg-config{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} preview-latex-style{a} python3{a} python3-minimal{a} python3.12{a} python3.12-minimal{a} readline-common{a} sensible-utils{a} t1utils{a} tex-common{a} texlive-base{a} texlive-binaries{a} texlive-latex-base{a} texlive-latex-extra{a} texlive-latex-recommended{a} texlive-pictures{a} tzdata{a} ucf{a} x11-common{a} xdg-utils{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl default-jre dvisvgm krb5-locales libarchive-cpio-perl libfile-mimeinfo-perl libglib2.0-data libhwloc-plugins libmail-sendmail-perl libnet-dbus-perl libspreadsheet-parseexcel-perl libx11-protocol-perl lmodern lynx ruby shared-mime-info texlive-fonts-recommended texlive-plain-generic tk wget x11-utils x11-xserver-utils xdg-user-dirs 0 packages upgraded, 143 newly installed, 0 to remove and 0 not upgraded. Need to get 170 MB of archives. After unpacking 619 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main i386 libpython3.12-minimal i386 3.12.7-1 [813 kB] Get: 2 http://deb.debian.org/debian unstable/main i386 libexpat1 i386 2.6.3-1 [107 kB] Get: 3 http://deb.debian.org/debian unstable/main i386 python3.12-minimal i386 3.12.7-1 [2239 kB] Get: 4 http://deb.debian.org/debian unstable/main i386 python3-minimal i386 3.12.6-1 [26.7 kB] Get: 5 http://deb.debian.org/debian unstable/main i386 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian unstable/main i386 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian unstable/main i386 tzdata all 2024b-3 [255 kB] Get: 8 http://deb.debian.org/debian unstable/main i386 libkrb5support0 i386 1.21.3-3 [34.9 kB] Get: 9 http://deb.debian.org/debian unstable/main i386 libcom-err2 i386 1.47.1-1 [23.1 kB] Get: 10 http://deb.debian.org/debian unstable/main i386 libk5crypto3 i386 1.21.3-3 [83.6 kB] Get: 11 http://deb.debian.org/debian unstable/main i386 libkeyutils1 i386 1.6.3-3 [9432 B] Get: 12 http://deb.debian.org/debian unstable/main i386 libkrb5-3 i386 1.21.3-3 [350 kB] Get: 13 http://deb.debian.org/debian unstable/main i386 libgssapi-krb5-2 i386 1.21.3-3 [146 kB] Get: 14 http://deb.debian.org/debian unstable/main i386 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian unstable/main i386 libtirpc3t64 i386 1.3.4+ds-1.3 [90.2 kB] Get: 16 http://deb.debian.org/debian unstable/main i386 libnsl2 i386 1.3.0-3+b2 [42.4 kB] Get: 17 http://deb.debian.org/debian unstable/main i386 readline-common all 8.2-5 [69.3 kB] Get: 18 http://deb.debian.org/debian unstable/main i386 libreadline8t64 i386 8.2-5 [173 kB] Get: 19 http://deb.debian.org/debian unstable/main i386 libpython3.12-stdlib i386 3.12.7-1 [1966 kB] Get: 20 http://deb.debian.org/debian unstable/main i386 python3.12 i386 3.12.7-1 [671 kB] Get: 21 http://deb.debian.org/debian unstable/main i386 libpython3-stdlib i386 3.12.6-1 [9692 B] Get: 22 http://deb.debian.org/debian unstable/main i386 python3 i386 3.12.6-1 [27.8 kB] Get: 23 http://deb.debian.org/debian unstable/main i386 sensible-utils all 0.0.24 [24.8 kB] Get: 24 http://deb.debian.org/debian unstable/main i386 libmagic-mgc i386 1:5.45-3 [314 kB] Get: 25 http://deb.debian.org/debian unstable/main i386 libmagic1t64 i386 1:5.45-3 [114 kB] Get: 26 http://deb.debian.org/debian unstable/main i386 file i386 1:5.45-3 [42.9 kB] Get: 27 http://deb.debian.org/debian unstable/main i386 gettext-base i386 0.22.5-2 [201 kB] Get: 28 http://deb.debian.org/debian unstable/main i386 libuchardet0 i386 0.0.8-1+b1 [69.1 kB] Get: 29 http://deb.debian.org/debian unstable/main i386 groff-base i386 1.23.0-5 [1196 kB] Get: 30 http://deb.debian.org/debian unstable/main i386 bsdextrautils i386 2.40.2-9 [102 kB] Get: 31 http://deb.debian.org/debian unstable/main i386 libpipeline1 i386 1.5.8-1 [41.2 kB] Get: 32 http://deb.debian.org/debian unstable/main i386 man-db i386 2.13.0-1 [1428 kB] Get: 33 http://deb.debian.org/debian unstable/main i386 ucf all 3.0043+nmu1 [55.2 kB] Get: 34 http://deb.debian.org/debian unstable/main i386 m4 i386 1.4.19-4 [293 kB] Get: 35 http://deb.debian.org/debian unstable/main i386 autoconf all 2.72-3 [493 kB] Get: 36 http://deb.debian.org/debian unstable/main i386 autotools-dev all 20220109.1 [51.6 kB] Get: 37 http://deb.debian.org/debian unstable/main i386 automake all 1:1.16.5-1.3 [823 kB] Get: 38 http://deb.debian.org/debian unstable/main i386 autopoint all 0.22.5-2 [723 kB] Get: 39 http://deb.debian.org/debian unstable/main i386 libdebhelper-perl all 13.20 [89.7 kB] Get: 40 http://deb.debian.org/debian unstable/main i386 libtool all 2.4.7-7 [517 kB] Get: 41 http://deb.debian.org/debian unstable/main i386 dh-autoreconf all 20 [17.1 kB] Get: 42 http://deb.debian.org/debian unstable/main i386 libarchive-zip-perl all 1.68-1 [104 kB] Get: 43 http://deb.debian.org/debian unstable/main i386 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 44 http://deb.debian.org/debian unstable/main i386 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 45 http://deb.debian.org/debian unstable/main i386 libelf1t64 i386 0.191-2 [194 kB] Get: 46 http://deb.debian.org/debian unstable/main i386 dwz i386 0.15-1+b1 [116 kB] Get: 47 http://deb.debian.org/debian unstable/main i386 libicu72 i386 72.1-5 [9550 kB] Get: 48 http://deb.debian.org/debian unstable/main i386 libxml2 i386 2.12.7+dfsg+really2.9.14-0.1 [733 kB] Get: 49 http://deb.debian.org/debian unstable/main i386 gettext i386 0.22.5-2 [1631 kB] Get: 50 http://deb.debian.org/debian unstable/main i386 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 51 http://deb.debian.org/debian unstable/main i386 po-debconf all 1.0.21+nmu1 [248 kB] Get: 52 http://deb.debian.org/debian unstable/main i386 debhelper all 13.20 [915 kB] Get: 53 http://deb.debian.org/debian unstable/main i386 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 54 http://deb.debian.org/debian unstable/main i386 fonts-dejavu-core all 2.37-8 [840 kB] Get: 55 http://deb.debian.org/debian unstable/main i386 fontconfig-config i386 2.15.0-1.1 [317 kB] Get: 56 http://deb.debian.org/debian unstable/main i386 fonts-lmodern all 2.005-1 [4540 kB] Get: 57 http://deb.debian.org/debian unstable/main i386 libgfortran5 i386 14.2.0-6 [735 kB] Get: 58 http://deb.debian.org/debian unstable/main i386 libgfortran-14-dev i386 14.2.0-6 [800 kB] Get: 59 http://deb.debian.org/debian unstable/main i386 gfortran-14-i686-linux-gnu i386 14.2.0-6 [12.5 MB] Get: 60 http://deb.debian.org/debian unstable/main i386 gfortran-14 i386 14.2.0-6 [11.9 kB] Get: 61 http://deb.debian.org/debian unstable/main i386 gfortran-i686-linux-gnu i386 4:14.2.0-1 [1280 B] Get: 62 http://deb.debian.org/debian unstable/main i386 gfortran i386 4:14.2.0-1 [1432 B] Get: 63 http://deb.debian.org/debian unstable/main i386 libhwloc15 i386 2.11.2-1 [177 kB] Get: 64 http://deb.debian.org/debian unstable/main i386 hwloc-nox i386 2.11.2-1 [229 kB] Get: 65 http://deb.debian.org/debian unstable/main i386 libapache-pom-java all 29-2 [5276 B] Get: 66 http://deb.debian.org/debian unstable/main i386 libblas3 i386 3.12.0-3 [140 kB] Get: 67 http://deb.debian.org/debian unstable/main i386 libblas-dev i386 3.12.0-3 [152 kB] Get: 68 http://deb.debian.org/debian unstable/main i386 libbrotli1 i386 1.1.0-2+b4 [309 kB] Get: 69 http://deb.debian.org/debian unstable/main i386 libpng16-16t64 i386 1.6.44-2 [288 kB] Get: 70 http://deb.debian.org/debian unstable/main i386 libfreetype6 i386 2.13.3+dfsg-1 [464 kB] Get: 71 http://deb.debian.org/debian unstable/main i386 libfontconfig1 i386 2.15.0-1.1 [401 kB] Get: 72 http://deb.debian.org/debian unstable/main i386 libpixman-1-0 i386 0.42.2-1+b1 [555 kB] Get: 73 http://deb.debian.org/debian unstable/main i386 libxau6 i386 1:1.0.9-1+b1 [18.5 kB] Get: 74 http://deb.debian.org/debian unstable/main i386 libxdmcp6 i386 1:1.1.2-3+b1 [24.8 kB] Get: 75 http://deb.debian.org/debian unstable/main i386 libxcb1 i386 1.17.0-2 [148 kB] Get: 76 http://deb.debian.org/debian unstable/main i386 libx11-data all 2:1.8.7-1 [328 kB] Get: 77 http://deb.debian.org/debian unstable/main i386 libx11-6 i386 2:1.8.7-1+b1 [822 kB] Get: 78 http://deb.debian.org/debian unstable/main i386 libxcb-render0 i386 1.17.0-2 [116 kB] Get: 79 http://deb.debian.org/debian unstable/main i386 libxcb-shm0 i386 1.17.0-2 [105 kB] Get: 80 http://deb.debian.org/debian unstable/main i386 libxext6 i386 2:1.3.4-1+b1 [55.3 kB] Get: 81 http://deb.debian.org/debian unstable/main i386 libxrender1 i386 1:0.9.10-1.1+b1 [28.8 kB] Get: 82 http://deb.debian.org/debian unstable/main i386 libcairo2 i386 1.18.2-2 [591 kB] Get: 83 http://deb.debian.org/debian unstable/main i386 libcommons-parent-java all 56-1 [10.8 kB] Get: 84 http://deb.debian.org/debian unstable/main i386 libcommons-logging-java all 1.3.0-1 [68.6 kB] Get: 85 http://deb.debian.org/debian unstable/main i386 libfftw3-double3 i386 3.3.10-1+b3 [635 kB] Get: 86 http://deb.debian.org/debian unstable/main i386 libfftw3-long3 i386 3.3.10-1+b3 [340 kB] Get: 87 http://deb.debian.org/debian unstable/main i386 libfftw3-quad3 i386 3.3.10-1+b3 [1798 kB] Get: 88 http://deb.debian.org/debian unstable/main i386 libfftw3-single3 i386 3.3.10-1+b3 [643 kB] Get: 89 http://deb.debian.org/debian unstable/main i386 libfftw3-bin i386 3.3.10-1+b3 [49.8 kB] Get: 90 http://deb.debian.org/debian unstable/main i386 libfftw3-dev i386 3.3.10-1+b3 [3199 kB] Get: 91 http://deb.debian.org/debian unstable/main i386 libfontbox-java all 1:1.8.16-5 [211 kB] Get: 92 http://deb.debian.org/debian unstable/main i386 libglib2.0-0t64 i386 2.82.1-1 [1570 kB] Get: 93 http://deb.debian.org/debian unstable/main i386 libgraphite2-3 i386 1.3.14-2 [77.7 kB] Get: 94 http://deb.debian.org/debian unstable/main i386 libharfbuzz0b i386 9.0.0-1 [500 kB] Get: 95 http://deb.debian.org/debian unstable/main i386 libnuma1 i386 2.0.18-1 [23.5 kB] Get: 96 http://deb.debian.org/debian unstable/main i386 libnuma-dev i386 2.0.18-1 [38.3 kB] Get: 97 http://deb.debian.org/debian unstable/main i386 libltdl7 i386 2.4.7-7+b1 [395 kB] Get: 98 http://deb.debian.org/debian unstable/main i386 libltdl-dev i386 2.4.7-7+b1 [167 kB] Get: 99 http://deb.debian.org/debian unstable/main i386 libhwloc-dev i386 2.11.2-1 [271 kB] Get: 100 http://deb.debian.org/debian unstable/main i386 x11-common all 1:7.7+23.1 [216 kB] Get: 101 http://deb.debian.org/debian unstable/main i386 libice6 i386 2:1.0.10-1+b1 [58.6 kB] Get: 102 http://deb.debian.org/debian unstable/main i386 libkpathsea6 i386 2024.20240313.70630+ds-4 [160 kB] Get: 103 http://deb.debian.org/debian unstable/main i386 liblapack3 i386 3.12.0-3 [2167 kB] Get: 104 http://deb.debian.org/debian unstable/main i386 liblapack-dev i386 3.12.0-3 [4400 kB] Get: 105 http://deb.debian.org/debian unstable/main i386 libmpfi0 i386 1.5.4+ds-3 [38.5 kB] Get: 106 http://deb.debian.org/debian unstable/main i386 libmpich12 i386 4.2.0-14 [1518 kB] Get: 107 http://deb.debian.org/debian unstable/main i386 libslurm41t64 i386 24.05.2-1 [738 kB] Get: 108 http://deb.debian.org/debian unstable/main i386 mpich i386 4.2.0-14 [235 kB] Get: 109 http://deb.debian.org/debian unstable/main i386 libmpich-dev i386 4.2.0-14 [2494 kB] Get: 110 http://deb.debian.org/debian unstable/main i386 libpaper1 i386 1.1.29+b1 [13.0 kB] Get: 111 http://deb.debian.org/debian unstable/main i386 libpaper-utils i386 1.1.29+b1 [9280 B] Get: 112 http://deb.debian.org/debian unstable/main i386 libpdfbox-java all 1:1.8.16-5 [5527 kB] Get: 113 http://deb.debian.org/debian unstable/main i386 libpkgconf3 i386 1.8.1-3 [38.2 kB] Get: 114 http://deb.debian.org/debian unstable/main i386 libpotrace0 i386 1.16-2+b1 [24.2 kB] Get: 115 http://deb.debian.org/debian unstable/main i386 libptexenc1 i386 2024.20240313.70630+ds-4 [50.0 kB] Get: 116 http://deb.debian.org/debian unstable/main i386 libsm6 i386 2:1.2.3-1+b1 [33.9 kB] Get: 117 http://deb.debian.org/debian unstable/main i386 libsynctex2 i386 2024.20240313.70630+ds-4 [65.5 kB] Get: 118 http://deb.debian.org/debian unstable/main i386 libteckit0 i386 2.5.12+ds1-1 [284 kB] Get: 119 http://deb.debian.org/debian unstable/main i386 libtexlua53-5 i386 2024.20240313.70630+ds-4 [129 kB] Get: 120 http://deb.debian.org/debian unstable/main i386 libwannier90-dev i386 3.1.0+ds-10 [476 kB] Get: 121 http://deb.debian.org/debian unstable/main i386 libxt6t64 i386 1:1.2.1-1.2 [193 kB] Get: 122 http://deb.debian.org/debian unstable/main i386 libxmu6 i386 2:1.1.3-3+b2 [60.5 kB] Get: 123 http://deb.debian.org/debian unstable/main i386 libxpm4 i386 1:3.5.17-1+b1 [57.8 kB] Get: 124 http://deb.debian.org/debian unstable/main i386 libxaw7 i386 2:1.0.14-1+b2 [208 kB] Get: 125 http://deb.debian.org/debian unstable/main i386 libxc9 i386 5.2.3-1+b1 [2521 kB] Get: 126 http://deb.debian.org/debian unstable/main i386 libxc-dev i386 5.2.3-1+b1 [5629 kB] Get: 127 http://deb.debian.org/debian unstable/main i386 libxi6 i386 2:1.8.2-1 [81.2 kB] Get: 128 http://deb.debian.org/debian unstable/main i386 libzzip-0-13t64 i386 0.13.72+dfsg.1-1.3 [58.0 kB] Get: 129 http://deb.debian.org/debian unstable/main i386 mpi-default-bin i386 1.17 [2372 B] Get: 130 http://deb.debian.org/debian unstable/main i386 mpi-default-dev i386 1.17 [3144 B] Get: 131 http://deb.debian.org/debian unstable/main i386 pkgconf-bin i386 1.8.1-3 [30.3 kB] Get: 132 http://deb.debian.org/debian unstable/main i386 pkgconf i386 1.8.1-3 [26.1 kB] Get: 133 http://deb.debian.org/debian unstable/main i386 pkg-config i386 1.8.1-3 [13.9 kB] Get: 134 http://deb.debian.org/debian unstable/main i386 tex-common all 6.18 [32.5 kB] Get: 135 http://deb.debian.org/debian unstable/main i386 preview-latex-style all 13.2-1 [350 kB] Get: 136 http://deb.debian.org/debian unstable/main i386 t1utils i386 1.41-4 [62.3 kB] Get: 137 http://deb.debian.org/debian unstable/main i386 texlive-binaries i386 2024.20240313.70630+ds-4 [8377 kB] Get: 138 http://deb.debian.org/debian unstable/main i386 xdg-utils all 1.1.3-4.1 [75.5 kB] Get: 139 http://deb.debian.org/debian unstable/main i386 texlive-base all 2024.20240829-2 [22.7 MB] Get: 140 http://deb.debian.org/debian unstable/main i386 texlive-latex-base all 2024.20240829-2 [1273 kB] Get: 141 http://deb.debian.org/debian unstable/main i386 texlive-latex-recommended all 2024.20240829-2 [8845 kB] Get: 142 http://deb.debian.org/debian unstable/main i386 texlive-pictures all 2024.20240829-2 [17.0 MB] Get: 143 http://deb.debian.org/debian unstable/main i386 texlive-latex-extra all 2024.20240829-1 [20.9 MB] Fetched 170 MB in 5s (31.6 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:i386. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19785 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.7-1_i386.deb ... Unpacking libpython3.12-minimal:i386 (3.12.7-1) ... Selecting previously unselected package libexpat1:i386. Preparing to unpack .../libexpat1_2.6.3-1_i386.deb ... Unpacking libexpat1:i386 (2.6.3-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.7-1_i386.deb ... Unpacking python3.12-minimal (3.12.7-1) ... Setting up libpython3.12-minimal:i386 (3.12.7-1) ... Setting up libexpat1:i386 (2.6.3-1) ... Setting up python3.12-minimal (3.12.7-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20105 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.6-1_i386.deb ... Unpacking python3-minimal (3.12.6-1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../03-tzdata_2024b-3_all.deb ... Unpacking tzdata (2024b-3) ... Selecting previously unselected package libkrb5support0:i386. Preparing to unpack .../04-libkrb5support0_1.21.3-3_i386.deb ... Unpacking libkrb5support0:i386 (1.21.3-3) ... Selecting previously unselected package libcom-err2:i386. Preparing to unpack .../05-libcom-err2_1.47.1-1_i386.deb ... Unpacking libcom-err2:i386 (1.47.1-1) ... Selecting previously unselected package libk5crypto3:i386. Preparing to unpack .../06-libk5crypto3_1.21.3-3_i386.deb ... Unpacking libk5crypto3:i386 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:i386. Preparing to unpack .../07-libkeyutils1_1.6.3-3_i386.deb ... Unpacking libkeyutils1:i386 (1.6.3-3) ... Selecting previously unselected package libkrb5-3:i386. Preparing to unpack .../08-libkrb5-3_1.21.3-3_i386.deb ... Unpacking libkrb5-3:i386 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:i386. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_i386.deb ... Unpacking libgssapi-krb5-2:i386 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../10-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:i386. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3_i386.deb ... Adding 'diversion of /lib/i386-linux-gnu/libtirpc.so.3 to /lib/i386-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/i386-linux-gnu/libtirpc.so.3.0.0 to /lib/i386-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:i386 (1.3.4+ds-1.3) ... Selecting previously unselected package libnsl2:i386. Preparing to unpack .../12-libnsl2_1.3.0-3+b2_i386.deb ... Unpacking libnsl2:i386 (1.3.0-3+b2) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-5_all.deb ... Unpacking readline-common (8.2-5) ... Selecting previously unselected package libreadline8t64:i386. Preparing to unpack .../14-libreadline8t64_8.2-5_i386.deb ... Adding 'diversion of /lib/i386-linux-gnu/libhistory.so.8 to /lib/i386-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/i386-linux-gnu/libhistory.so.8.2 to /lib/i386-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/i386-linux-gnu/libreadline.so.8 to /lib/i386-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/i386-linux-gnu/libreadline.so.8.2 to /lib/i386-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:i386 (8.2-5) ... Selecting previously unselected package libpython3.12-stdlib:i386. Preparing to unpack .../15-libpython3.12-stdlib_3.12.7-1_i386.deb ... Unpacking libpython3.12-stdlib:i386 (3.12.7-1) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.7-1_i386.deb ... Unpacking python3.12 (3.12.7-1) ... Selecting previously unselected package libpython3-stdlib:i386. Preparing to unpack .../17-libpython3-stdlib_3.12.6-1_i386.deb ... Unpacking libpython3-stdlib:i386 (3.12.6-1) ... Setting up python3-minimal (3.12.6-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21165 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.6-1_i386.deb ... Unpacking python3 (3.12.6-1) ... Selecting previously unselected package sensible-utils. 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Unpacking groff-base (1.23.0-5) ... Selecting previously unselected package bsdextrautils. Preparing to unpack .../008-bsdextrautils_2.40.2-9_i386.deb ... Unpacking bsdextrautils (2.40.2-9) ... Selecting previously unselected package libpipeline1:i386. Preparing to unpack .../009-libpipeline1_1.5.8-1_i386.deb ... Unpacking libpipeline1:i386 (1.5.8-1) ... Selecting previously unselected package man-db. Preparing to unpack .../010-man-db_2.13.0-1_i386.deb ... Unpacking man-db (2.13.0-1) ... Selecting previously unselected package ucf. Preparing to unpack .../011-ucf_3.0043+nmu1_all.deb ... Moving old data out of the way Unpacking ucf (3.0043+nmu1) ... Selecting previously unselected package m4. Preparing to unpack .../012-m4_1.4.19-4_i386.deb ... Unpacking m4 (1.4.19-4) ... Selecting previously unselected package autoconf. Preparing to unpack .../013-autoconf_2.72-3_all.deb ... Unpacking autoconf (2.72-3) ... Selecting previously unselected package autotools-dev. 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Preparing to unpack .../026-libxml2_2.12.7+dfsg+really2.9.14-0.1_i386.deb ... Unpacking libxml2:i386 (2.12.7+dfsg+really2.9.14-0.1) ... Selecting previously unselected package gettext. Preparing to unpack .../027-gettext_0.22.5-2_i386.deb ... Unpacking gettext (0.22.5-2) ... Selecting previously unselected package intltool-debian. Preparing to unpack .../028-intltool-debian_0.35.0+20060710.6_all.deb ... Unpacking intltool-debian (0.35.0+20060710.6) ... Selecting previously unselected package po-debconf. Preparing to unpack .../029-po-debconf_1.0.21+nmu1_all.deb ... Unpacking po-debconf (1.0.21+nmu1) ... Selecting previously unselected package debhelper. Preparing to unpack .../030-debhelper_13.20_all.deb ... Unpacking debhelper (13.20) ... Selecting previously unselected package fonts-dejavu-mono. Preparing to unpack .../031-fonts-dejavu-mono_2.37-8_all.deb ... Unpacking fonts-dejavu-mono (2.37-8) ... Selecting previously unselected package fonts-dejavu-core. 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Selecting previously unselected package gfortran-14. Preparing to unpack .../038-gfortran-14_14.2.0-6_i386.deb ... Unpacking gfortran-14 (14.2.0-6) ... Selecting previously unselected package gfortran-i686-linux-gnu. Preparing to unpack .../039-gfortran-i686-linux-gnu_4%3a14.2.0-1_i386.deb ... Unpacking gfortran-i686-linux-gnu (4:14.2.0-1) ... Selecting previously unselected package gfortran. Preparing to unpack .../040-gfortran_4%3a14.2.0-1_i386.deb ... Unpacking gfortran (4:14.2.0-1) ... Selecting previously unselected package libhwloc15:i386. Preparing to unpack .../041-libhwloc15_2.11.2-1_i386.deb ... Unpacking libhwloc15:i386 (2.11.2-1) ... Selecting previously unselected package hwloc-nox. Preparing to unpack .../042-hwloc-nox_2.11.2-1_i386.deb ... Unpacking hwloc-nox (2.11.2-1) ... Selecting previously unselected package libapache-pom-java. Preparing to unpack .../043-libapache-pom-java_29-2_all.deb ... Unpacking libapache-pom-java (29-2) ... Selecting previously unselected package libblas3:i386. Preparing to unpack .../044-libblas3_3.12.0-3_i386.deb ... Unpacking libblas3:i386 (3.12.0-3) ... Selecting previously unselected package libblas-dev:i386. Preparing to unpack .../045-libblas-dev_3.12.0-3_i386.deb ... Unpacking libblas-dev:i386 (3.12.0-3) ... Selecting previously unselected package libbrotli1:i386. Preparing to unpack .../046-libbrotli1_1.1.0-2+b4_i386.deb ... Unpacking libbrotli1:i386 (1.1.0-2+b4) ... Selecting previously unselected package libpng16-16t64:i386. Preparing to unpack .../047-libpng16-16t64_1.6.44-2_i386.deb ... Unpacking libpng16-16t64:i386 (1.6.44-2) ... Selecting previously unselected package libfreetype6:i386. Preparing to unpack .../048-libfreetype6_2.13.3+dfsg-1_i386.deb ... Unpacking libfreetype6:i386 (2.13.3+dfsg-1) ... Selecting previously unselected package libfontconfig1:i386. Preparing to unpack .../049-libfontconfig1_2.15.0-1.1_i386.deb ... Unpacking libfontconfig1:i386 (2.15.0-1.1) ... Selecting previously unselected package libpixman-1-0:i386. Preparing to unpack .../050-libpixman-1-0_0.42.2-1+b1_i386.deb ... Unpacking libpixman-1-0:i386 (0.42.2-1+b1) ... Selecting previously unselected package libxau6:i386. Preparing to unpack .../051-libxau6_1%3a1.0.9-1+b1_i386.deb ... Unpacking libxau6:i386 (1:1.0.9-1+b1) ... Selecting previously unselected package libxdmcp6:i386. Preparing to unpack .../052-libxdmcp6_1%3a1.1.2-3+b1_i386.deb ... Unpacking libxdmcp6:i386 (1:1.1.2-3+b1) ... Selecting previously unselected package libxcb1:i386. Preparing to unpack .../053-libxcb1_1.17.0-2_i386.deb ... Unpacking libxcb1:i386 (1.17.0-2) ... Selecting previously unselected package libx11-data. Preparing to unpack .../054-libx11-data_2%3a1.8.7-1_all.deb ... Unpacking libx11-data (2:1.8.7-1) ... Selecting previously unselected package libx11-6:i386. Preparing to unpack .../055-libx11-6_2%3a1.8.7-1+b1_i386.deb ... Unpacking libx11-6:i386 (2:1.8.7-1+b1) ... Selecting previously unselected package libxcb-render0:i386. Preparing to unpack .../056-libxcb-render0_1.17.0-2_i386.deb ... Unpacking libxcb-render0:i386 (1.17.0-2) ... Selecting previously unselected package libxcb-shm0:i386. Preparing to unpack .../057-libxcb-shm0_1.17.0-2_i386.deb ... Unpacking libxcb-shm0:i386 (1.17.0-2) ... Selecting previously unselected package libxext6:i386. Preparing to unpack .../058-libxext6_2%3a1.3.4-1+b1_i386.deb ... Unpacking libxext6:i386 (2:1.3.4-1+b1) ... Selecting previously unselected package libxrender1:i386. Preparing to unpack .../059-libxrender1_1%3a0.9.10-1.1+b1_i386.deb ... Unpacking libxrender1:i386 (1:0.9.10-1.1+b1) ... Selecting previously unselected package libcairo2:i386. Preparing to unpack .../060-libcairo2_1.18.2-2_i386.deb ... Unpacking libcairo2:i386 (1.18.2-2) ... Selecting previously unselected package libcommons-parent-java. Preparing to unpack .../061-libcommons-parent-java_56-1_all.deb ... 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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 texlive-binaries (2024.20240313.70630+ds-4) ... update-alternatives: using /usr/bin/xdvi-xaw to provide /usr/bin/xdvi.bin (xdvi.bin) in auto mode update-alternatives: using /usr/bin/bibtex.original to provide /usr/bin/bibtex (bibtex) in auto mode Setting up texlive-base (2024.20240829-2) ... tl-paper: setting paper size for dvips to a4: /var/lib/texmf/dvips/config/config-paper.ps tl-paper: setting paper size for dvipdfmx to a4: /var/lib/texmf/dvipdfmx/dvipdfmx-paper.cfg tl-paper: setting paper size for xdvi to a4: /var/lib/texmf/xdvi/XDvi-paper tl-paper: setting paper size for pdftex to a4: /var/lib/texmf/tex/generic/tex-ini-files/pdftexconfig.tex Setting up libpython3-stdlib:i386 (3.12.6-1) ... Setting up python3 (3.12.6-1) ... Setting up texlive-latex-base (2024.20240829-2) ... Setting up texlive-latex-recommended (2024.20240829-2) ... Setting up texlive-pictures (2024.20240829-2) ... Setting up texlive-latex-extra (2024.20240829-1) ... Processing triggers for libc-bin (2.40-3) ... Processing triggers for tex-common (6.18) ... Running updmap-sys. This may take some time... done. Running mktexlsr /var/lib/texmf ... done. Building format(s) --all. This may take some time... done. 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 Reading package lists... Building dependency tree... Reading state information... fakeroot is already the newest version (1.36-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package I: Running cd /build/reproducible-path/elkcode-9.6.8/ && 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 > ../elkcode_9.6.8-1_source.changes dpkg-buildpackage: info: source package elkcode dpkg-buildpackage: info: source version 9.6.8-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture i386 fakeroot debian/rules clean dh clean dh_auto_clean make -j11 clean make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' cd src; make cleanall make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src' make clean make[3]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src' rm -f *.o *.mod *~ *.a ifc* *.gcno gmon.out *.aux *.dvi *.log \ elk.pdf elk.lst *.tex *.toc *.out elk make[3]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src' make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src' cd src/eos; make clean make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/eos' rm -f *.o *.mod *~ fort.* ifc* *.gcno *.OUT gmon.out eos make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/eos' cd src/spacegroup; make clean make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' rm -f *.o *.mod *~ fort.* ifc* *.gcno *.OUT *.xsf *.ascii gmon.out \ *.aux *.dvi *.log *.pdf *.tex *.toc *.out spacegroup make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' cd tests; rm -rf test-*/*.OUT test-*/RUNNING test-*/test.log rm -f *.o *.mod *~ fort.* ifc* *.gcno *.exe make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' dh_clean debian/rules build dh build dh_update_autotools_config dh_autoreconf dh_auto_configure debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' dh_auto_build --no-parallel make -j1 "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8' cd src; make all make[3]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmpi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modramdisk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c libxcf90.f90 libxcf90.f90:3554:26: 3554 | subroutine c_to_f_string(c_string, f_string) | ^ Warning: 'c_to_f_string' defined but not used [-Wunused-function] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c libxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modfxcifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moddftu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modrdm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modphonon.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modtest.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modrandom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modvars.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modtddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modgw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modbog.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moddelf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modomp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mkl_stub.f90 mkl_stub.f90:8:42: 8 | subroutine mkl_set_num_threads(num_threads) | 1 Warning: Unused dummy argument 'num_threads' at (1) [-Wunused-dummy-argument] mkl_stub.f90:13:54: 13 | integer function mkl_set_num_threads_local(num_threads) | 1 Warning: Unused dummy argument 'num_threads' at (1) [-Wunused-dummy-argument] mkl_stub.f90:19:34: 19 | subroutine mkl_set_dynamic(dynamic) | 1 Warning: Unused dummy argument 'dynamic' at (1) [-Wunused-dummy-argument] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mkl_init.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfftifc_fftw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfftifc_fftw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c factn2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mtm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3vo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gcd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c trimrfg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfun.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zpotcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cpotcoul.f90 cpotcoul.f90:96:17: 96 | cvclir(jg)=cvclir(jg)+z1*z2 | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:99:17: 99 | cvclir(jg)=cvclir(jg)+t2*zlm(1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:106:13: 106 | cvclir(jg)=gclgp(ig)*cvclir(jg) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:131:31: 131 | cvclmt(lm:i1:lmmaxi,ias)=cvclmt(lm:i1:lmmaxi,ias)+z1*rl(1:nri(is),l,is) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:134:31: 134 | cvclmt(i0:i1:lmmaxo,ias)=cvclmt(i0:i1:lmmaxo,ias)+z1*rl(iro:nr(is),l,is) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotcoul.f90:143:31: 143 | cvclmt(i0:i1:lmmaxo,ias)=cvclmt(i0:i1:lmmaxo,ias)+z1*rl(iro:nr(is),l,is) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zftcf.f90 zftcf.f90:29:8: 29 | cfft(:)=cfir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] zftcf.f90:39:16: 39 | ylm(1:lmmaxo)=t0*ylmgp(1:lmmaxo,ig) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elnes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c axangsu2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzvcln.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentpmae.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfcmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfcmtwr.f90 cfcmtwr.f90:19:16: 19 | cfmt(i:i+3)=(pi*wr(ir))*cfmt(i:i+3) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cfcmtwr.f90:26:16: 26 | cfmt(i:i+n)=(t1*wr(ir))*cfmt(i:i+n) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cfcmtwr.f90:33:14: 33 | cfmt(i:i+n)=(t1*wr(ir))*cfmt(i:i+n) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c projsbf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c timesec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtftoc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ztorfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfvz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energynn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gaunt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcmt.f90 potxcmt.f90:33:50: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: 'tau.offset' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:50: Warning: 'tau.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:41: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: 'bxc.offset' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:41: Warning: 'bxc.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] potxcmt.f90:33:41: Warning: 'bxc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_mp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_mp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_fd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_fd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelsj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnzh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensfacgp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wsplintp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c reciplat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfrm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixadapt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zftrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbessel.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclgq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genstress.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c force.f90 force.f90:151:52: 151 | t1=t1-t2*rfmtint(nr,nri,wrmt(:,is),grfmt(:,i)) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] force.f90:84:23: 84 | real(8) fav(3),ca,t1,t2 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvbmatk.f90 genvbmatk.f90:183:10: 183 | wf21(i)=(v(i)+b(i))*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:184:10: 184 | wf22(i)=(v(i)-b(i))*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:167:10: 167 | wf21(i)=(v(i)+b3(i))*wf11(i)+cmplx(b1(i),-b2(i),8)*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:168:10: 168 | wf22(i)=(v(i)-b3(i))*wf12(i)+cmplx(b1(i),b2(i),8)*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c forcek.f90 forcek.f90:149:78: 149 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'evecsv.offset' may be used uninitialized [-Wmaybe-uninitialized] forcek.f90:42:68: 42 | complex(8), allocatable :: apwalm(:,:,:,:),evecfv(:,:,:),evecsv(:,:) | ^ note: 'evecsv.offset' was declared here forcek.f90:149:78: 149 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'evecsv.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] forcek.f90:42:68: 42 | complex(8), allocatable :: apwalm(:,:,:,:),evecfv(:,:,:),evecsv(:,:) | ^ note: 'evecsv.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeepsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olprad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polark.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hflocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixbroyden.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c grad2rfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c clebgor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfirctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c effmass.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacmag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polynm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c epsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinpc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeiad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genapwfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addbfsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genylmv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genexpmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sphcover.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sctovec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genppts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnzg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fderiv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genexpmat.f90 genexpmat.f90:26:39: 26 | complex(8), allocatable :: evecsv1(:,:),evecsv2(:,:) | ^ Warning: 'evecsv1.offset' may be used uninitialized [-Wmaybe-uninitialized] genexpmat.f90:26:39: Warning: 'evecsv1.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeforces.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3cross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c match.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspchi0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potefield.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhoinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnsv.f90 eveqnsv.f90:97:21: 97 | wfmt0(1:npc,ist)=wfmt1(1:npc,ist) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:241:21: 241 | wfgp0(1:ngp,ist)=evecfv(1:ngp,ist) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:255:21: 255 | wfir2(1:ngtot)=bsir(1:ngtot,ndmag)*wfir1(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:262:23: 262 | wfir2(1:ngtot)=cmplx(bsir(1:ngtot,1),-bsir(1:ngtot,2),8)*wfir1(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:276:33: 276 | wfir1(igfft(igpig(igp)))=t1*wfgp0(igp,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:279:21: 279 | wfir1(1:ngtot)=wfir1(1:ngtot)*cfunir(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] eveqnsv.f90:82:16: 82 | do ias=1,natmtot | ^ Warning: 'a1' may be used uninitialized [-Wmaybe-uninitialized] eveqnsv.f90:26:10: 26 | real(8) a1,a2,a3,t1 | ^ note: 'a1' was declared here eveqnsv.f90:82:16: 82 | do ias=1,natmtot | ^ Warning: 'a2' may be used uninitialized [-Wmaybe-uninitialized] eveqnsv.f90:26:13: 26 | real(8) a1,a2,a3,t1 | ^ note: 'a2' was declared here eveqnsv.f90:82:16: 82 | do ias=1,natmtot | ^ Warning: 'a3' may be used uninitialized [-Wmaybe-uninitialized] eveqnsv.f90:26:16: 26 | real(8) a1,a2,a3,t1 | ^ note: 'a3' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c roteuler.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genrmesh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wavefcr.f90 wavefcr.f90:84:28: 84 | if (lm1 > 0) wfcr(i1,1)=t0*c1 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:85:28: 85 | if (lm2 > 0) wfcr(i2,2)=t0*c2 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:93:21: 93 | wfcr(i+lm,1)=t1*zbshti(lm,lm1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:98:21: 98 | wfcr(i+lm,2)=t2*zbshti(lm,lm2) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:120:28: 120 | if (lm1 > 0) wfcr(i1,1)=t0*c1 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:121:28: 121 | if (lm2 > 0) wfcr(i2,2)=t0*c2 | 1 Warning: Possible change of value in conversion from REAL(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:129:21: 129 | wfcr(i+lm,1)=t1*zbshto(lm,lm1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:134:21: 134 | wfcr(i+lm,2)=t2*zbshto(lm,lm2) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wavefcr.f90:84:33: 84 | if (lm1 > 0) wfcr(i1,1)=t0*c1 | ^ Warning: 'i1' may be used uninitialized [-Wmaybe-uninitialized] wavefcr.f90:19:12: 19 | integer i,i1,i2 | ^ note: 'i1' was declared here wavefcr.f90:85:33: 85 | if (lm2 > 0) wfcr(i2,2)=t0*c2 | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] wavefcr.f90:19:15: 19 | integer i,i1,i2 | ^ note: 'i2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c lopzflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c brzint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genylmg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentaucr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c numlist.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hermite.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atpstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatls.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writechg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genlofr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genpmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rvfcross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeinfo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mossbauer.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initoep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c i3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genidxlo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nuclei.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeefg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevsp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mtv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3frac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genapwlofr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gridsize.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrfir.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c erf.f90 erf.f90:8:0: 8 | elemental real(8) function erf(x) Warning: 'erf' declared at (1) is also the name of an intrinsic. It can only be called via an explicit interface or if declared EXTERNAL. [-Wintrinsic-shadow] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ylmroty.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ssfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_sq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcir.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rcfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhoplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symveca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c jprplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmatk.f90 genvmatk.f90:56:19: 56 | wfmt1(1:npc)=vmt(1:npc,ias)*wfmt(1:npc,ias,ispn,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvmatk.f90:93:18: 93 | wfir(1:ngtot)=vir(1:ngtot)*wfir(1:ngtot) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomopt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnss.f90 eveqnss.f90:72:63: 72 | if (ssdph) wfmt1(1:npc,ist,ispn)=zq*wfmt1(1:npc,ist,ispn) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] eveqnss.f90:25:13: 25 | complex(8) zq | ^ note: 'REALPART_EXPR ' was declared here eveqnss.f90:72:63: 72 | if (ssdph) wfmt1(1:npc,ist,ispn)=zq*wfmt1(1:npc,ist,ispn) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] eveqnss.f90:25:13: 25 | complex(8) zq | ^ note: 'IMAGPART_EXPR ' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hartfock.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlxbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlxbsek.f90 hmlxbsek.f90:51:16: 51 | cvclir(:,l)=cvclir(:,l)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmldbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmldbsek.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradwfcr2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepresk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addlorbcnd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepvcl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepvclk.f90 oepvclk.f90:137:18: 137 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polar.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dbxcplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbesseldm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writehmlbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric_bse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vecplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nesting.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfhkintp.f90 rfhkintp.f90:65:34: 65 | t2=(vhpl(1)-v0(1))*dble(ngridk(1)) | ^ Warning: 'v0[0]' may be used uninitialized [-Wmaybe-uninitialized] rfhkintp.f90:20:13: 20 | real(8) v0(3),v1(3),v2(3),t1,t2 | ^ note: 'v0[0]' was declared here rfhkintp.f90:71:34: 71 | t2=(vhpl(2)-v0(2))*dble(ngridk(2)) | ^ Warning: 'v0[1]' may be used uninitialized [-Wmaybe-uninitialized] rfhkintp.f90:20:13: 20 | real(8) v0(3),v1(3),v2(3),t1,t2 | ^ note: 'v0[1]' was declared here rfhkintp.f90:75:34: 75 | t2=(vhpl(3)-v0(3))*dble(ngridk(3)) | ^ Warning: 'v0[2]' may be used uninitialized [-Wmaybe-uninitialized] rfhkintp.f90:20:13: 20 | real(8) v0(3),v1(3),v2(3),t1,t2 | ^ note: 'v0[2]' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writewfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vblocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writefsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getwfpw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymcrys.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fermisurfbxsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeexpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writekpts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfcrplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energykncr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_2a.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_sp_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_sp_2b.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeemd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c reademd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c emdplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init4.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bfieldfsm.f90 mpif90 `dpkg-buildflags 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--get LDFLAGS` -c rcfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readspecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findband.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c exxengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentauk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkfsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genrlmv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mae.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegvecrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zcfmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math 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LDFLAGS` -c olplolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmllolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengclg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagsh.f90 mpif90 `dpkg-buildflags --get FFLAGS` 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putpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getpmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtpack.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtpack.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevalfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevalfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfmtfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putkmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getkmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putepsinv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getcfgq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genshtmat.f90 genshtmat.f90:77:12: 77 | cbshti(:,:)=zbshti(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genshtmat.f90:78:12: 78 | cfshti(:,:)=zfshti(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genshtmat.f90:125:12: 125 | cbshto(:,:)=zbshto(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genshtmat.f90:126:12: 126 | cfshto(:,:)=zfshto(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c allatoms.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writesym.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putoccsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getoccsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c torque.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findqpt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findkpt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genevfsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math 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--get LDFLAGS` -c rndevsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengkvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixlinear.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writesf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengqf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genkmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` 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LDFLAGS` -c writepmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genstrain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symmetry.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c linengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestress.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eulerrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cftwfir.f90 cftwfir.f90:31:43: 31 | wfir(igfc(igpig(igp,jspn)),ispn,ist)=t0*c(igp) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rschrodint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegclq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegeom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c curlrvf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjtot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkwrite.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjprk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c proj2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genidxbse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvfir.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjpr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfvr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentau.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjlgpr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestrain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops 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-c genvchi0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfmtconj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_sq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sdelta_lr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c stheta_lr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymsite.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genlmirep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writespecies.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wigner3jf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math 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--get LDFLAGS` -c rfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c straingkq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c oepmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdirac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bandstr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findscq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plot3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c init0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readstate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnhf.f90 eveqnhf.f90:143:16: 143 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c i3mtv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c spline.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gauntyry.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findnjcmax.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndstate.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sstask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fermisurf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c spiralsc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c maginit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c exxengyk.f90 exxengyk.f90:113:16: 113 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moke.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlrad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dos.f90 dos.f90:343:25: 343 | lm,elm(lm,ias) | ^ Warning: 'elm.offset' may be used uninitialized [-Wmaybe-uninitialized] dos.f90:60:50: 60 | real(8), allocatable :: dt(:,:),dp(:,:,:),elm(:,:) | ^ note: 'elm.offset' was declared here dos.f90:343:25: 343 | lm,elm(lm,ias) | ^ Warning: 'elm.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] dos.f90:60:50: 60 | real(8), allocatable :: dt(:,:),dp(:,:,:),elm(:,:) | ^ note: 'elm.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findprimcell.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotpt2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sfacrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bdipole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c elfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vclcore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zvcldisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vecfbz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c lopzflmn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zpotclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readfermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sphcrd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rminv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rtozfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsvp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsvp_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdiracint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotzflm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c latvstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradzfmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfmtsv_sp.f90 wfmtsv_sp.f90:180:8: 180 | cf(1,:)=cf(1,:)+z*rf(1,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfirsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfirsv_sp.f90 wfirsv_sp.f90:50:27: 50 | wfir(1:n,ispn,j)=wfir(1:n,ispn,j)+z1*evecfv(1:n,ist,jspn) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wfirsv_sp.f90:54:20: 54 | wfgp(1:n)=wfgp(1:n)+z1*evecfv(1:n,ist,jspn) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wfirsv_sp.f90:70:20: 70 | wfir(1:n,1,j)=evecfv(1:n,k,1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] wfirsv_sp.f90:74:36: 74 | wfir(igf(igpig(igp,1)),1,j)=t0*evecfv(igp,k,1) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwfsv_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_4.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_4.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c trzhmm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wigner3j.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfmtint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvsig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findngkmax.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potks.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mtdmin.f90 mtdmin.f90:67:17: 67 | dmin=sqrt(d2m)-rm | ^ Warning: 'd2m' may be used uninitialized [-Wmaybe-uninitialized] mtdmin.f90:30:14: 30 | real(8) d2,d2m,r,r2,rm,dr,drm | ^ note: 'd2m' was declared here mtdmin.f90:67:17: 67 | dmin=sqrt(d2m)-rm | ^ Warning: 'rm' may be used uninitialized [-Wmaybe-uninitialized] mtdmin.f90:30:22: 30 | real(8) d2,d2m,r,r2,rm,dr,drm | ^ note: 'rm' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfcopy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genffacgp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c unitary.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmdet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtftoc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zminv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeeval.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mixerifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splinew.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nfftifc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c batchdv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readevalsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readoccsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mctm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c z2mmct.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmctmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zmctm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rzmctmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moldyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrho.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cpotclmt.f90 cpotclmt.f90:90:5: 90 | g(2)=zsm | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:94:9: 94 | g(i+1)=zsm | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:97:5: 97 | g(n)=zsm+wp(j)*f(n-3)+wp(j+1)*f(n-2)+wp(j+2)*f(n-1)+wp(j+3)*f(n) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:31:13: 31 | f1(ir)=rl(ir,l1)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:32:13: 32 | f2(ir)=rl(ir,l2)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:37:13: 37 | f1(ir)=rl(ir,l1)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:38:13: 38 | f2(ir)=rl(ir,l2)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:45:16: 45 | cvclmt(i)=t0*(rl(ir,l3)*f3(ir)+rl(ir,l)*(c1-f1(ir))) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:49:16: 49 | cvclmt(i)=t0*(rl(ir,l3)*f3(ir)+rl(ir,l)*(c1-f1(ir))) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:62:13: 62 | f1(ir)=rl(ir,l1)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:63:13: 63 | f2(ir)=rl(ir,l2)*crhomt(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] cpotclmt.f90:70:16: 70 | cvclmt(i)=t0*(rl(ir,l3)*f3(ir)+rl(ir,l)*(c1-f1(ir))) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtsm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rbshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zbshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cbsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cbshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c cfshtip.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencvclmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zcfmtinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zcfinp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggamt_3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ggair_3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c piezoelt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c magnetoelt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rmtavrg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zlrzncnv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c efieldmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeefield.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sort.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatch.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c drhomagsh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendcfun.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendvsig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaloq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaloq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmllolo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpaaq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dolpaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlaa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlaaq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initeph.f90 initeph.f90:105:26: 105 | ephmkq(:,:,:,ik,iq)=ephmat(:,:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dengyeph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndsteph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqneph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlepha.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlephb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlephde.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getephmkq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ephdos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gradrhomt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c doccupy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dhmlrad.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendwfsv.f90 gendwfsv.f90:32:58: 32 | complex(8), allocatable :: wfmt1(:,:),wfmt2(:),dwfmt1(:,:) | ^ Warning: 'dwfmt1.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dwfmtfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengqvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dyntask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotks.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotxc.f90 dpotxc.f90:72:55: 72 | dbmt(1:np,1)=fxcmt(1:np,ias,1,4)*drhomt(1:np,ias) | ^ Warning: 'dbmt.offset' may be used uninitialized [-Wmaybe-uninitialized] dpotxc.f90:16:44: 16 | complex(8), allocatable :: dvmt(:),dbmt(:,:) | ^ note: 'dbmt.offset' was declared here dpotxc.f90:72:55: 72 | dbmt(1:np,1)=fxcmt(1:np,ias,1,4)*drhomt(1:np,ias) | ^ Warning: 'dbmt.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] dpotxc.f90:16:44: 16 | complex(8), allocatable :: dvmt(:),dbmt(:,:) | ^ note: 'dbmt.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c deveqnfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dpotcoul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c drhomagk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvsmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dforce.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dforcek.f90 dforcek.f90:273:78: 273 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'devecsv.offset' may be used uninitialized [-Wmaybe-uninitialized] dforcek.f90:30:51: 30 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ note: 'devecsv.offset' was declared here dforcek.f90:273:78: 273 | call zgemv('N',nstfv,nstfv,zone,ffv,nstfv,evecsv(i,j),1,zzero,y,1) | ^ Warning: 'devecsv.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] dforcek.f90:30:51: 30 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ note: 'devecsv.dim[1].stride' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynqtor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynevs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phonon.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynrtoq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c mcmillan.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genephmat.f90 genephmat.f90:104:15: 104 | wfir2(:)=dvir(:,l)*wfir1(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengkqvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genmcph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putdevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getdevecfv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putdevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getdevecsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phononsc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genscph.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phdisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynsymapp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynsym.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynev.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phdos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sumrule.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writephn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dynfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegamma.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readgamma.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phlwidth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c alpha2f.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelambda.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ephcouple.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eliashberg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c phscdvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdvs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readalpha2f.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendsocfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bornechg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bectask.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c becfext.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putephmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getephmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pzca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pwca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_am05.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_xalpha.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_wc06.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c x_wc06.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c x_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c c_pbe.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c c_pbe_gcor.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_vbh.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fxc_pwca.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tf_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tf1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tfvw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tfvw_sp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_tfvw1.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c k_vwlb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genveedu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm2todm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm3todm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmtotm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedftu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sbesseli.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c shankeli.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfdufr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c engyfdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findlambda.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vmatmtsc.f90 vmatmtsc.f90:29:49: 29 | vmatmti(1:lmmaxi,1:lmmaxi,ispn,jspn,ias)=c(1:lmmaxi,1:lmmaxi) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] vmatmtsc.f90:37:35: 37 | vmatmto(:,:,ispn,jspn,ias)=c(:,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vmatmtdu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vmatmtftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fyukawa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fyukawa0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readdmatmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeftm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdtm3.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwkpr0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tm3rtoz.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmwriteengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmminc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmvaryc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdedc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmengyxc.f90 rdmengyxc.f90:73:45: 73 | engyx=engyx-t2*vcl1221(ist2,ist1,ik2) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] rdmengyxc.f90:24:13: 24 | real(8) t1,t2,t3,t4 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmminn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmvaryn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdkdc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmenergy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmwritededn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdedn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdexcdn.f90 rdmdexcdn.f90:77:63: 77 | dedn(ist2,ik2)=dedn(ist2,ik2)+t2*vcl1221(ist2,ist1,ik2) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] rdmdexcdn.f90:31:13: 31 | real(8) t1,t2,t3,t4 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvcl1223.f90 genvcl1223.f90:110:16: 110 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvcl1221.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvcl1223.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevcl1221.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevcl1223.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdexcdc.f90 rdmdexcdc.f90:80:40: 80 | vcl1223(ist1,ist3,ist4,ik2) | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] rdmdexcdc.f90:29:13: 29 | real(8) t1,t2,t3 | ^ note: 't2' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmdtsdn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmentropy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rdmeval.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvcl1221.f90 genvcl1221.f90:105:16: 105 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwdmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwlocal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genwgw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwtails.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c minf_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c acpole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwrhomag.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwdmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwefermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dysonr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putgwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getgwsefm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeigw.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c polefit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwchgk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwsefmk.f90 gwsefmk.f90:124:24: 124 | crgq(ist1,:,ist3)=conjg(zfgq(:)) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] gwsefmk.f90:139:16: 139 | cvclir(:)=cvclir(:)*cfrc(:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] gwsefmk.f90:188:25: 188 | wc(iwfft(iw),ig)=t2*epsi(ig,jg,jw) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] gwsefmk.f90:198:13: 198 | c1=z1*wc(it,jg) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] gwsefmk.f90:204:15: 204 | c1=z1*wc(it,ig) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwspecf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegwsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c acgwse.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fmin_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfpole.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gwbandstr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeatdisp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdforces.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readatdvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdengy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemomtd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddftlr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhmlt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetddos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeafpdt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readafindt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvfxc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genfxcr.f90 genfxcr.f90:18:57: 18 | real(8), allocatable :: rho(:),rhoup(:),rhodn(:),mag(:,:) | ^ Warning: 'mag.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] genfxcr.f90:51:52: 51 | t1=sqrt(mag(i,1)**2+mag(i,2)**2+mag(i,3)**2) | ^ Warning: 'mag.offset' may be used uninitialized [-Wmaybe-uninitialized] genfxcr.f90:18:57: 18 | real(8), allocatable :: rho(:),rhoup(:),rhodn(:),mag(:,:) | ^ note: 'mag.offset' was declared here mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdtemp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetdlsj.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspfxcr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genvfxcg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddftsplr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genspfxcg.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genafieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dielectric_tdrt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readjtot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c afindtstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genefieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c energytd.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c engyknk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readforcet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdrestart.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeatdvc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhostatic.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c jtotk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhosplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c bornecdyn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c becforce.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readrhos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengvnsmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhafspt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeaxsf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c atptstep.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potkst.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tdbackup.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writetimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readtimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gentimes.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math 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--get LDFLAGS` -c zfirctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevalu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writekpa.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhdbulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vblocalu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c chargeu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c addbfsmu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c momentu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupyulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potksu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevclr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvmatk.f90 genzvmatk.f90:45:19: 45 | wfmt1(1:npc)=zvmt(1:npc,ias)*wfmt(1:npc,ias,ispn,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvmatk.f90:65:19: 65 | wfir1(1:ngtot)=zvir(1:ngtot)*wfir(1:ngtot,ispn,jst) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genzvbmatk.f90 genzvbmatk.f90:126:10: 126 | wf21(i)=(zv(i)+zb(i))*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvbmatk.f90:127:10: 127 | wf22(i)=(zv(i)-zb(i))*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvbmatk.f90:111:10: 111 | wf21(i)=(zv(i)+zb3(i))*wf11(i)+(zb1(i)-z1)*wf12(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genzvbmatk.f90:112:10: 112 | wf22(i)=(zv(i)-zb3(i))*wf12(i)+(zb1(i)+z1)*wf11(i) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomagq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeengyu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfzfftq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhocoreu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhomaguk.f90 rhomaguk.f90:72:9: 72 | wo=occulr(j,ik0)*wkpt(ik) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhmlu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potxcu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeinfou.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c vclqinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writechgrmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writemomrmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writestulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readstulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potefieldu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c puthdbulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gethdbulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potuinit.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readvclr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genkpakq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu1d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu2d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotu3d.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gndstulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c plotulr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potuplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c potcoulu.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhouplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c maguplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c initw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90win.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90eig.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c setupw90.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90mmn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90spn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90amn.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writew90unk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c dmatwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveqnwxy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevaluv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c occupyuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevaluv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevaluv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecuv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevecwxy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevecwxy.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c putevalwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getevalwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c aceplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeevalwx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o elk modmain.o modmpi.o modramdisk.o libxcf90.o libxcifc.o modxcifc.o modfxcifc.o moddftu.o modrdm.o modphonon.o modtest.o modrandom.o modpw.o modvars.o modtddft.o modgw.o modulr.o modbog.o moddelf.o modomp.o mkl_stub.o mkl_init.o modw90.o zfftifc_fftw.o cfftifc_fftw.o elk.o factn.o factr.o factn2.o r3mm.o r3mtm.o r3mmt.o r3vo.o gcd.o rfint.o trimrfg.o gencfun.o zpotcoul.o cpotcoul.o potcoul.o zftcf.o elnes.o symdmat.o axangsu2.o gradzvcln.o gentpmae.o zfcmtwr.o cfcmtwr.o projsbf.o gradzf.o timesec.o zfmtftoc.o ztorfmt.o zfmtctof.o eveqnfvz.o energynn.o gaunt.o potxcmt.o sdelta_mp.o stheta_mp.o sdelta_fd.o stheta_fd.o writelsj.o eveqnzh.o gensmatk.o gensfacgp.o rhomag.o wsplintp.o checkmt.o reciplat.o gradrf.o gencfrm.o mixadapt.o zftrf.o sbessel.o gengclgq.o genstress.o force.o genvbmatk.o forcek.o writeepsinv.o olprad.o polark.o zfmtinp.o hflocal.o mixbroyden.o grad2rfmt.o clebgor.o rfirctof.o effmass.o sfacmag.o polynm.o epsinv.o rfinpc.o writeiad.o genapwfr.o gengclq.o addbfsm.o genylmv.o olpfv.o hmlfv.o genexpmt.o rfinp.o sphcover.o sctovec.o genppts.o eveqnzg.o fderiv.o genpmat.o genexpmat.o writeforces.o r3cross.o match.o genspchi0.o potefield.o rhoinit.o eveqnsv.o roteuler.o genrmesh.o splint.o wavefcr.o lopzflm.o brzint.o rotdmat.o genylmg.o gentaucr.o readinput.o numlist.o hermite.o genfspecies.o atpstep.o dmatls.o writeengy.o writechg.o rbsht.o rfsht.o genlofr.o rotrfmt.o genpmatk.o rvfcross.o writeinfo.o mossbauer.o initoep.o i3minv.o r3mv.o genidxlo.o nuclei.o writeefg.o writeevsp.o gencore.o r3mtv.o r3minv.o r3frac.o genapwlofr.o gridsize.o symrfir.o erf.o geomplot.o ylmroty.o ssfext.o writestate.o sdelta_sq.o potxcir.o potxc.o rcfmtinp.o rhoplot.o occupy.o symveca.o jprplot.o genvmatk.o geomopt.o eveqnss.o hartfock.o potplot.o genwfpw.o hmlxbse.o hmlxbsek.o hmldbse.o hmldbsek.o gradwfcr2.o oepresk.o addlorbcnd.o energy.o wfplot.o oepvcl.o oepvclk.o polar.o dbxcplot.o sbesseldm.o writehmlbse.o dielectric_bse.o vecplot.o nesting.o writeevbse.o emdplot3d.o emdplot2d.o emdplot1d.o rfhkintp.o writewfpw.o vblocal.o writefsm.o getwfpw.o plotpt1d.o init1.o init2.o findsymcrys.o plotpt3d.o fermisurfbxsf.o genspecies.o writeexpmat.o writekpts.o wfcrplot.o writedos.o energykncr.o ggamt_1.o ggair_1.o ggamt_sp_1.o ggair_sp_1.o ggamt_2a.o ggair_2a.o ggamt_2b.o ggair_2b.o ggamt_sp_2a.o ggair_sp_2a.o ggamt_sp_2b.o ggair_sp_2b.o writeemd.o reademd.o emdplot.o init3.o init4.o bfieldfsm.o testcheck.o pade.o wsplint.o gensocfr.o pades.o genscss.o rfcmtwr.o nonlinopt.o writelat.o rhocore.o rcfinp.o readspecies.o findband.o exxengy.o gentauk.o gradrfmt.o checkfsm.o genrlmv.o mae.o writegvecrf.o zcfmtwr.o wfmtsv.o olpistl.o hmlistl.o olpalo.o hmlalo.o olplolo.o hmllolo.o olpaa.o hmlaa.o gengclg.o rhomagsh.o charge.o moment.o rfint0.o r3mdet.o gencfrc.o checkstop.o genbs.o gradwf2.o writelinen.o rfmtlm.o putpmat.o getpmat.o rfmtpack.o zfmtpack.o putevalfv.o getevalfv.o wfmtfv.o putkmat.o getkmat.o putepsinv.o getcfgq.o putevalsv.o getevalsv.o getevecsv.o putevecsv.o genshtmat.o allatoms.o putevecfv.o getevecfv.o writesym.o putoccsv.o getoccsv.o torque.o findqpt.o findkpt.o genevfsv.o genwfsv.o sdelta.o stheta.o sortidx.o symmat.o radnucl.o symrvf.o writeqpts.o rndevsv.o gengkvec.o mixlinear.o writesf.o gengqf.o genkmat.o genolpq.o genjlgprmt.o rfinterp.o fsmooth.o axangrot.o rotaxang.o wspline.o splined.o findswidth.o findsymlat.o writepmat.o genstrain.o symmetry.o linengy.o writestress.o eulerrot.o cftwfir.o rschrodint.o writegclq.o writegeom.o writemom.o gendmat.o curlrvf.o genzvclmt.o genjtot.o symvec.o checkwrite.o genjprk.o proj2d.o genidxbse.o symrvfir.o genjpr.o eveqnfvr.o gentau.o genjlgpr.o writestrain.o writefermi.o rfmtctof.o findsym.o zfsht.o rhonorm.o genvchi0.o cfmtconj.o stheta_sq.o sdelta_lr.o stheta_lr.o findsymsite.o genlmirep.o writespecies.o rhomagk.o symrvfmt.o wigner3jf.o genhvec.o ylmrot.o wxcplot.o massnucl.o gendmatk.o rfplot.o straingkq.o eveqnit.o oepmain.o rdirac.o bandstr.o sfacinit.o findscq.o plot1d.o plot2d.o plot3d.o init0.o readstate.o eveqnhf.o zbsht.o i3mtv.o spline.o gauntyry.o findnjcmax.o gndstate.o sstask.o fermisurf.o spiralsc.o atom.o maginit.o exxengyk.o moke.o hmlrad.o dos.o findprimcell.o plotpt2d.o sfacrho.o bdipole.o dielectric.o elfplot.o vclcore.o zfmtwr.o zvcldisp.o vecfbz.o lopzflmn.o zpotclmt.o readfermi.o gensdmat.o symrfmt.o sphcrd.o gencrm.o rminv.o rtozfmt.o genwfsvp.o genwfsvp_sp.o rdiracint.o rotzflm.o latvstep.o gradzfmt.o eveqnfv.o cfsht.o wfmtsv_sp.o wfirsv.o wfirsv_sp.o genwfsv_sp.o ggamt_4.o ggair_4.o trzhmm.o gengvec.o wigner3j.o gengvc.o potnucl.o zfmtint.o rfmtint.o genvsig.o rfmtinp.o findngkmax.o potks.o mtdmin.o rfcopy.o rhomagv.o eveqn.o genffacgp.o unitary.o zmdet.o rfmtftoc.o zminv.o symrf.o genvmat.o writeeval.o mixerifc.o splinew.o nfftifc.o batchdv.o readevalsv.o readoccsv.o z2mm.o z2mctm.o z2mmct.o zmctmu.o zmctm.o rzmctmu.o moldyn.o gencrho.o cpotclmt.o rfmtsm.o rbshtip.o rfshtip.o zbshtip.o zfshtip.o cbsht.o cbshtip.o cfshtip.o gencvclmt.o zcfmtinp.o zcfinp.o ggamt_3.o ggair_3.o piezoelt.o magnetoelt.o rmtavrg.o zlrzncnv.o efieldmt.o writeefield.o sort.o dmatch.o dolpistl.o drhomagsh.o dhmlistl.o gendcfun.o gendvsig.o olpaloq.o hmlaloq.o dolpalo.o dhmlalo.o dhmllolo.o olpaaq.o dolpaa.o dhmlaa.o hmlaaq.o initeph.o dengyeph.o gndsteph.o eveqneph.o hmlepha.o hmlephb.o hmlephde.o getephmkq.o ephdos.o gradrhomt.o doccupy.o dhmlrad.o gendwfsv.o dwfmtfv.o gengqvec.o writedvs.o readdyn.o dyntask.o dpotks.o dpotxc.o deveqnfv.o dpotcoul.o drhomagk.o gengvsmt.o dforce.o dforcek.o dynqtor.o dynevs.o phonon.o dynrtoq.o mcmillan.o genephmat.o gengkqvec.o genmcph.o putdevecfv.o getdevecfv.o putdevecsv.o getdevecsv.o phononsc.o genscph.o phdisp.o dynsymapp.o dynsym.o dynev.o phdos.o sumrule.o writephn.o dynfext.o writegamma.o readgamma.o phlwidth.o alpha2f.o writelambda.o ephcouple.o eliashberg.o phscdvs.o readdvs.o readalpha2f.o gendsocfr.o bornechg.o bectask.o becfext.o putephmat.o getephmat.o xc_pzca.o xc_pwca.o xc_pbe.o xc_am05.o xc_xalpha.o xc_wc06.o x_wc06.o x_pbe.o c_pbe.o c_pbe_gcor.o xc_vbh.o fxc_pwca.o k_tf.o k_tf_sp.o k_tf1.o k_tfvw.o k_tfvw_sp.o k_tfvw1.o k_vwlb.o gendmatmt.o genveedu.o tm2todm.o tm3todm.o dmtotm3.o writedftu.o sbesseli.o shankeli.o genfdu.o genfdufr.o engyfdu.o findlambda.o vmatmtsc.o genvmatmt.o vmatmtdu.o vmatmtftm.o fyukawa.o fyukawa0.o readdmatmt.o writetm.o writetm3.o gendmftm.o writeftm.o writetdtm3.o genwkpr0.o tm3rtoz.o rdmft.o rdmwriteengy.o rdmminc.o rdmvaryc.o rdmdedc.o rdmengyxc.o rdmminn.o rdmvaryn.o rdmdkdc.o rdmenergy.o rdmwritededn.o rdmdedn.o rdmdexcdn.o genvcl1223.o getvcl1221.o getvcl1223.o writevcl1221.o writevcl1223.o rdmdexcdc.o rdmdtsdn.o rdmentropy.o rdmeval.o genvcl1221.o gwdmat.o gwlocal.o genwgw.o gwtails.o minf_nm.o acpole.o gwrhomag.o gwdmatk.o gwefermi.o dysonr.o gwsefm.o putgwsefm.o getgwsefm.o writeigw.o polefit.o gwchgk.o gwsefmk.o gwspecf.o writegwsf.o acgwse.o fmin_nm.o zfpole.o gwbandstr.o writeatdisp.o writetdforces.o readatdvc.o writetdengy.o writemomtd.o tddftlr.o genhmlt.o writetddos.o writeafpdt.o readafindt.o genvfxc.o genfxcr.o tdtemp.o writetdlsj.o genspfxcr.o genvfxcg.o tddftsplr.o genspfxcg.o genafieldt.o writetddft.o dielectric_tdrt.o readjtot.o afindtstep.o genefieldt.o energytd.o engyknk.o readforcet.o tdrestart.o writeatdvc.o rhostatic.o jtotk.o rhosplot.o bornecdyn.o becforce.o tdinit.o readrhos.o gengvnsmt.o genhafspt.o writeaxsf.o atptstep.o potkst.o tdbackup.o writetimes.o readtimes.o gentimes.o readafieldt.o genjr.o tddft.o timestep.o writetdjtk.o zfirctof.o writeevalu.o writekpa.o genhdbulr.o vblocalu.o chargeu.o addbfsmu.o momentu.o occupyulr.o potksu.o writevclr.o genzvmatk.o genzvbmatk.o rhomagq.o writeengyu.o rfzfftq.o rhocoreu.o eveqnulr.o rhomaguk.o genhmlu.o potxcu.o writeinfou.o zfplot.o vclqinit.o writechgrmt.o initulr.o writemomrmt.o writestulr.o readstulr.o potefieldu.o puthdbulr.o gethdbulr.o potuinit.o readvclr.o genkpakq.o plotu1d.o plotu2d.o plotu3d.o gndstulr.o plotulr.o potuplot.o potcoulu.o rhouplot.o maguplot.o initw90.o writew90.o writew90win.o writew90eig.o setupw90.o writew90mmn.o writew90spn.o writew90amn.o writew90unk.o dmatuv.o dmatwx.o eveqnuv.o eveqnwxy.o writeevaluv.o occupyuv.o putevaluv.o getevaluv.o putevecuv.o getevecuv.o putevecwxy.o getevecwxy.o putevalwx.o getevalwx.o aceplot.o writeevalwx.o -lblas -llapack `pkg-config --libs fftw3` `pkg-config --libs fftw3f` `pkg-config --cflags --libs libxc` -lxcf90 -lwannier make[3]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src' cd src/eos; make make[3]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/eos' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c eveos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pveos.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getedata.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fitdata.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c output.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c minf_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fmin_nm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o eos modmain.o eos.o eveos.o pveos.o readinput.o getedata.o fitdata.o output.o minf_nm.o fmin_nm.o make[3]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/eos' cd src/spacegroup; make make[3]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c modmain.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c main.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readinput.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencrystal.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sgsymb.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzgen.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gengroup.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzeq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c seitzmul.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writegeom.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c geomplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findprimcell.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3frac.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3cross.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3minv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -o spacegroup modmain.o main.o readinput.o gencrystal.o sgsymb.o seitzgen.o gengroup.o seitzeq.o seitzmul.o writegeom.o geomplot.o findprimcell.o r3frac.o r3mv.o r3cross.o r3minv.o r3mm.o make[3]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' (cd src; /usr/bin/make doc) make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src' rm -f elk.aux elk.bbl elk.blg elk.log elk.pdf elk.tex elk.toc elk.lst LC_ALL=C ls modmain.f90 modmpi.f90 modramdisk.f90 libxcf90.f90 libxcifc.f90 modxcifc.f90 modfxcifc.f90 moddftu.f90 modrdm.f90 modphonon.f90 modtest.f90 modrandom.f90 modpw.f90 modvars.f90 modtddft.f90 modgw.f90 modulr.f90 modbog.f90 moddelf.f90 modomp.f90 mkl_stub.f90 mkl_init.f90 modw90.f90 factn.f90 factr.f90 factn2.f90 r3mm.f90 r3mtm.f90 r3mmt.f90 r3vo.f90 gcd.f90 rfint.f90 trimrfg.f90 gencfun.f90 zpotcoul.f90 cpotcoul.f90 potcoul.f90 zftcf.f90 elnes.f90 symdmat.f90 axangsu2.f90 gradzvcln.f90 gentpmae.f90 zfcmtwr.f90 cfcmtwr.f90 projsbf.f90 gradzf.f90 timesec.f90 zfmtftoc.f90 ztorfmt.f90 zfmtctof.f90 eveqnfvz.f90 energynn.f90 gaunt.f90 potxcmt.f90 sdelta_mp.f90 stheta_mp.f90 sdelta_fd.f90 stheta_fd.f90 writelsj.f90 eveqnzh.f90 gensmatk.f90 gensfacgp.f90 rhomag.f90 wsplintp.f90 checkmt.f90 reciplat.f90 gradrf.f90 gencfrm.f90 mixadapt.f90 zftrf.f90 sbessel.f90 gengclgq.f90 genstress.f90 force.f90 genvbmatk.f90 forcek.f90 writeepsinv.f90 olprad.f90 polark.f90 zfmtinp.f90 hflocal.f90 mixbroyden.f90 grad2rfmt.f90 clebgor.f90 rfirctof.f90 effmass.f90 sfacmag.f90 polynm.f90 epsinv.f90 rfinpc.f90 writeiad.f90 genapwfr.f90 gengclq.f90 addbfsm.f90 genylmv.f90 olpfv.f90 hmlfv.f90 genexpmt.f90 rfinp.f90 sphcover.f90 sctovec.f90 genppts.f90 eveqnzg.f90 fderiv.f90 genpmat.f90 genexpmat.f90 writeforces.f90 r3cross.f90 match.f90 genspchi0.f90 potefield.f90 rhoinit.f90 eveqnsv.f90 roteuler.f90 genrmesh.f90 splint.f90 wavefcr.f90 lopzflm.f90 brzint.f90 rotdmat.f90 genylmg.f90 gentaucr.f90 readinput.f90 numlist.f90 hermite.f90 genfspecies.f90 atpstep.f90 dmatls.f90 writeengy.f90 writechg.f90 rbsht.f90 rfsht.f90 genlofr.f90 rotrfmt.f90 genpmatk.f90 rvfcross.f90 writeinfo.f90 mossbauer.f90 initoep.f90 i3minv.f90 r3mv.f90 genidxlo.f90 nuclei.f90 writeefg.f90 writeevsp.f90 gencore.f90 r3mtv.f90 r3minv.f90 r3frac.f90 genapwlofr.f90 gridsize.f90 symrfir.f90 erf.f90 geomplot.f90 ylmroty.f90 ssfext.f90 writestate.f90 sdelta_sq.f90 potxcir.f90 potxc.f90 rcfmtinp.f90 rhoplot.f90 occupy.f90 symveca.f90 jprplot.f90 genvmatk.f90 geomopt.f90 eveqnss.f90 hartfock.f90 potplot.f90 genwfpw.f90 hmlxbse.f90 hmlxbsek.f90 hmldbse.f90 hmldbsek.f90 gradwfcr2.f90 oepresk.f90 addlorbcnd.f90 energy.f90 wfplot.f90 oepvcl.f90 oepvclk.f90 polar.f90 dbxcplot.f90 sbesseldm.f90 writehmlbse.f90 dielectric_bse.f90 vecplot.f90 nesting.f90 writeevbse.f90 emdplot3d.f90 emdplot2d.f90 emdplot1d.f90 rfhkintp.f90 writewfpw.f90 vblocal.f90 writefsm.f90 getwfpw.f90 plotpt1d.f90 init1.f90 init2.f90 findsymcrys.f90 plotpt3d.f90 fermisurfbxsf.f90 genspecies.f90 writeexpmat.f90 writekpts.f90 wfcrplot.f90 writedos.f90 energykncr.f90 ggamt_1.f90 ggair_1.f90 ggamt_sp_1.f90 ggair_sp_1.f90 ggamt_2a.f90 ggair_2a.f90 ggamt_2b.f90 ggair_2b.f90 ggamt_sp_2a.f90 ggair_sp_2a.f90 ggamt_sp_2b.f90 ggair_sp_2b.f90 writeemd.f90 reademd.f90 emdplot.f90 init3.f90 init4.f90 bfieldfsm.f90 testcheck.f90 pade.f90 wsplint.f90 gensocfr.f90 pades.f90 genscss.f90 rfcmtwr.f90 nonlinopt.f90 writelat.f90 rhocore.f90 rcfinp.f90 readspecies.f90 findband.f90 exxengy.f90 gentauk.f90 gradrfmt.f90 checkfsm.f90 genrlmv.f90 mae.f90 writegvecrf.f90 zcfmtwr.f90 wfmtsv.f90 olpistl.f90 hmlistl.f90 olpalo.f90 hmlalo.f90 olplolo.f90 hmllolo.f90 olpaa.f90 hmlaa.f90 gengclg.f90 rhomagsh.f90 charge.f90 moment.f90 rfint0.f90 r3mdet.f90 gencfrc.f90 checkstop.f90 genbs.f90 gradwf2.f90 writelinen.f90 rfmtlm.f90 putpmat.f90 getpmat.f90 rfmtpack.f90 zfmtpack.f90 putevalfv.f90 getevalfv.f90 wfmtfv.f90 putkmat.f90 getkmat.f90 putepsinv.f90 getcfgq.f90 putevalsv.f90 getevalsv.f90 getevecsv.f90 putevecsv.f90 genshtmat.f90 allatoms.f90 putevecfv.f90 getevecfv.f90 writesym.f90 putoccsv.f90 getoccsv.f90 torque.f90 findqpt.f90 findkpt.f90 genevfsv.f90 genwfsv.f90 sdelta.f90 stheta.f90 sortidx.f90 symmat.f90 radnucl.f90 symrvf.f90 writeqpts.f90 rndevsv.f90 gengkvec.f90 mixlinear.f90 writesf.f90 gengqf.f90 genkmat.f90 genolpq.f90 genjlgprmt.f90 rfinterp.f90 fsmooth.f90 axangrot.f90 rotaxang.f90 wspline.f90 splined.f90 findswidth.f90 findsymlat.f90 writepmat.f90 genstrain.f90 symmetry.f90 linengy.f90 writestress.f90 eulerrot.f90 cftwfir.f90 rschrodint.f90 writegclq.f90 writegeom.f90 writemom.f90 gendmat.f90 curlrvf.f90 genzvclmt.f90 genjtot.f90 symvec.f90 checkwrite.f90 genjprk.f90 proj2d.f90 genidxbse.f90 symrvfir.f90 genjpr.f90 eveqnfvr.f90 gentau.f90 genjlgpr.f90 writestrain.f90 writefermi.f90 rfmtctof.f90 findsym.f90 zfsht.f90 rhonorm.f90 genvchi0.f90 cfmtconj.f90 stheta_sq.f90 sdelta_lr.f90 stheta_lr.f90 findsymsite.f90 genlmirep.f90 writespecies.f90 rhomagk.f90 symrvfmt.f90 wigner3jf.f90 genhvec.f90 ylmrot.f90 wxcplot.f90 massnucl.f90 gendmatk.f90 rfplot.f90 straingkq.f90 eveqnit.f90 oepmain.f90 rdirac.f90 bandstr.f90 sfacinit.f90 findscq.f90 plot1d.f90 plot2d.f90 plot3d.f90 init0.f90 readstate.f90 eveqnhf.f90 zbsht.f90 i3mtv.f90 spline.f90 gauntyry.f90 findnjcmax.f90 gndstate.f90 sstask.f90 fermisurf.f90 spiralsc.f90 atom.f90 maginit.f90 exxengyk.f90 moke.f90 hmlrad.f90 dos.f90 findprimcell.f90 plotpt2d.f90 sfacrho.f90 bdipole.f90 dielectric.f90 elfplot.f90 vclcore.f90 zfmtwr.f90 zvcldisp.f90 vecfbz.f90 lopzflmn.f90 zpotclmt.f90 readfermi.f90 gensdmat.f90 symrfmt.f90 sphcrd.f90 gencrm.f90 rminv.f90 rtozfmt.f90 genwfsvp.f90 genwfsvp_sp.f90 rdiracint.f90 rotzflm.f90 latvstep.f90 gradzfmt.f90 eveqnfv.f90 cfsht.f90 wfmtsv_sp.f90 wfirsv.f90 wfirsv_sp.f90 genwfsv_sp.f90 ggamt_4.f90 ggair_4.f90 trzhmm.f90 gengvec.f90 wigner3j.f90 gengvc.f90 potnucl.f90 zfmtint.f90 rfmtint.f90 genvsig.f90 rfmtinp.f90 findngkmax.f90 potks.f90 mtdmin.f90 rfcopy.f90 rhomagv.f90 eveqn.f90 genffacgp.f90 unitary.f90 zmdet.f90 rfmtftoc.f90 zminv.f90 symrf.f90 genvmat.f90 writeeval.f90 mixerifc.f90 splinew.f90 nfftifc.f90 batchdv.f90 readevalsv.f90 readoccsv.f90 z2mm.f90 z2mctm.f90 z2mmct.f90 zmctmu.f90 zmctm.f90 rzmctmu.f90 moldyn.f90 gencrho.f90 cpotclmt.f90 rfmtsm.f90 rbshtip.f90 rfshtip.f90 zbshtip.f90 zfshtip.f90 cbsht.f90 cbshtip.f90 cfshtip.f90 gencvclmt.f90 zcfmtinp.f90 zcfinp.f90 ggamt_3.f90 ggair_3.f90 piezoelt.f90 magnetoelt.f90 rmtavrg.f90 zlrzncnv.f90 efieldmt.f90 writeefield.f90 sort.f90 xc_pzca.f90 xc_pwca.f90 xc_pbe.f90 xc_am05.f90 xc_xalpha.f90 xc_wc06.f90 x_wc06.f90 x_pbe.f90 c_pbe.f90 c_pbe_gcor.f90 xc_vbh.f90 fxc_pwca.f90 k_tf.f90 k_tf_sp.f90 k_tf1.f90 k_tfvw.f90 k_tfvw_sp.f90 k_tfvw1.f90 k_vwlb.f90 dmatch.f90 dolpistl.f90 drhomagsh.f90 dhmlistl.f90 gendcfun.f90 gendvsig.f90 olpaloq.f90 hmlaloq.f90 dolpalo.f90 dhmlalo.f90 dhmllolo.f90 olpaaq.f90 dolpaa.f90 dhmlaa.f90 hmlaaq.f90 initeph.f90 dengyeph.f90 gndsteph.f90 eveqneph.f90 hmlepha.f90 hmlephb.f90 hmlephde.f90 getephmkq.f90 ephdos.f90 gradrhomt.f90 doccupy.f90 dhmlrad.f90 gendwfsv.f90 dwfmtfv.f90 gengqvec.f90 writedvs.f90 readdyn.f90 dyntask.f90 dpotks.f90 dpotxc.f90 deveqnfv.f90 dpotcoul.f90 drhomagk.f90 gengvsmt.f90 dforce.f90 dforcek.f90 dynqtor.f90 dynevs.f90 phonon.f90 dynrtoq.f90 mcmillan.f90 genephmat.f90 gengkqvec.f90 genmcph.f90 putdevecfv.f90 getdevecfv.f90 putdevecsv.f90 getdevecsv.f90 phononsc.f90 genscph.f90 phdisp.f90 dynsymapp.f90 dynsym.f90 dynev.f90 phdos.f90 sumrule.f90 writephn.f90 dynfext.f90 writegamma.f90 readgamma.f90 phlwidth.f90 alpha2f.f90 writelambda.f90 ephcouple.f90 eliashberg.f90 phscdvs.f90 readdvs.f90 readalpha2f.f90 gendsocfr.f90 bornechg.f90 bectask.f90 becfext.f90 putephmat.f90 getephmat.f90 gendmatmt.f90 genveedu.f90 tm2todm.f90 tm3todm.f90 dmtotm3.f90 writedftu.f90 sbesseli.f90 shankeli.f90 genfdu.f90 genfdufr.f90 engyfdu.f90 findlambda.f90 vmatmtsc.f90 genvmatmt.f90 vmatmtdu.f90 vmatmtftm.f90 fyukawa.f90 fyukawa0.f90 readdmatmt.f90 writetm.f90 writetm3.f90 gendmftm.f90 writeftm.f90 writetdtm3.f90 genwkpr0.f90 tm3rtoz.f90 \ rdmft.f90 rdmwriteengy.f90 rdmminc.f90 rdmvaryc.f90 rdmdedc.f90 rdmengyxc.f90 rdmminn.f90 rdmvaryn.f90 rdmdkdc.f90 rdmenergy.f90 rdmwritededn.f90 rdmdedn.f90 rdmdexcdn.f90 genvcl1223.f90 getvcl1221.f90 getvcl1223.f90 writevcl1221.f90 writevcl1223.f90 rdmdexcdc.f90 rdmdtsdn.f90 rdmentropy.f90 rdmeval.f90 genvcl1221.f90 writeatdisp.f90 writetdforces.f90 readatdvc.f90 writetdengy.f90 writemomtd.f90 tddftlr.f90 genhmlt.f90 writetddos.f90 writeafpdt.f90 readafindt.f90 genvfxc.f90 genfxcr.f90 tdtemp.f90 writetdlsj.f90 genspfxcr.f90 genvfxcg.f90 tddftsplr.f90 genspfxcg.f90 genafieldt.f90 writetddft.f90 dielectric_tdrt.f90 readjtot.f90 afindtstep.f90 genefieldt.f90 energytd.f90 engyknk.f90 readforcet.f90 tdrestart.f90 writeatdvc.f90 rhostatic.f90 jtotk.f90 rhosplot.f90 bornecdyn.f90 becforce.f90 tdinit.f90 readrhos.f90 gengvnsmt.f90 genhafspt.f90 writeaxsf.f90 atptstep.f90 potkst.f90 tdbackup.f90 writetimes.f90 readtimes.f90 gentimes.f90 readafieldt.f90 genjr.f90 tddft.f90 timestep.f90 writetdjtk.f90 gwdmat.f90 gwlocal.f90 genwgw.f90 gwtails.f90 minf_nm.f90 acpole.f90 gwrhomag.f90 gwdmatk.f90 gwefermi.f90 dysonr.f90 gwsefm.f90 putgwsefm.f90 getgwsefm.f90 writeigw.f90 polefit.f90 gwchgk.f90 gwsefmk.f90 gwspecf.f90 writegwsf.f90 acgwse.f90 fmin_nm.f90 zfpole.f90 gwbandstr.f90 > elk.lst ./protex -F -s elk.f90 $(cat elk.lst) > elk.tex pdflatex elk;pdflatex elk;pdflatex elk This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-08-16> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. 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(/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] No file elk.toc. [2] [3] [4] [5] [6] Overfull \hbox (14.77765pt too wide) in paragraph at lines 323--323 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [7] [8] [9] [10] [11] [12] [13] Overfull \hbox (0.95221pt too wide) in paragraph at lines 677--681 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] Underfull \hbox (badness 1924) in paragraph at lines 1383--1383 []|\OT1/cmr/m/n/10.95 Generate the RPA in-verse di-elec-tric func-tion with lo- cal con-tri-bu-tions [27] [28] [29] [30] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1536--1539 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [31] [32] [33] [34] [35] Underfull \hbox (badness 10000) in paragraph at lines 1736--1737 Underfull \hbox (badness 10000) in paragraph at lines 1766--1767 [36] Overfull \hbox (26.27502pt too wide) in paragraph at lines 1790--1790 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1809--1810 [37] Underfull \hbox (badness 10000) in paragraph at lines 1833--1834 Underfull \hbox (badness 10000) in paragraph at lines 1861--1862 Underfull \hbox (badness 10000) in paragraph at lines 1883--1884 [38] Underfull \hbox (badness 10000) in paragraph at lines 1906--1907 Underfull \hbox (badness 10000) in paragraph at lines 1931--1932 [39] Underfull \hbox (badness 10000) in paragraph at lines 1968--1969 [40] Underfull \hbox (badness 10000) in paragraph at lines 2004--2005 [41] Underfull \hbox (badness 10000) in paragraph at lines 2028--2029 Underfull \hbox (badness 10000) in paragraph at lines 2049--2050 Underfull \hbox (badness 10000) in paragraph at lines 2072--2073 [42] Underfull \hbox (badness 10000) in paragraph at lines 2096--2097 [43] Underfull \hbox (badness 10000) in paragraph at lines 2125--2126 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2154--2154 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 2155--2156 [44] Underfull \hbox (badness 10000) in paragraph at lines 2188--2189 [45] Underfull \hbox (badness 10000) in paragraph at lines 2214--2215 Underfull \hbox (badness 10000) in paragraph at lines 2251--2252 [46] Underfull \hbox (badness 10000) in paragraph at lines 2274--2275 [47] Underfull \hbox (badness 10000) in paragraph at lines 2338--2339 [48] Underfull \hbox (badness 10000) in paragraph at lines 2358--2359 Underfull \hbox (badness 10000) in paragraph at lines 2379--2380 Underfull \hbox (badness 10000) in paragraph at lines 2404--2405 [49] Underfull \hbox (badness 10000) in paragraph at lines 2433--2434 [50] Underfull \hbox (badness 10000) in paragraph at lines 2461--2462 Underfull \hbox (badness 10000) in paragraph at lines 2486--2487 [51] Underfull \hbox (badness 10000) in paragraph at lines 2509--2510 Overfull \hbox (32.02371pt too wide) in paragraph at lines 2540--2540 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2541--2542 [52] Underfull \hbox (badness 10000) in paragraph at lines 2573--2574 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2602--2602 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] [53] Underfull \hbox (badness 10000) in paragraph at lines 2603--2604 Underfull \hbox (badness 10000) in paragraph at lines 2625--2626 Underfull \hbox (badness 10000) in paragraph at lines 2647--2648 [54] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2684--2684 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2685--2686 [55] Underfull \hbox (badness 10000) in paragraph at lines 2713--2714 [56] Underfull \hbox (badness 10000) in paragraph at lines 2746--2747 Underfull \hbox (badness 10000) in paragraph at lines 2775--2776 [57] [58] Underfull \hbox (badness 10000) in paragraph at lines 2853--2854 Underfull \hbox (badness 10000) in paragraph at lines 2875--2876 [59] Underfull \hbox (badness 10000) in paragraph at lines 2899--2900 Underfull \hbox (badness 10000) in paragraph at lines 2924--2925 [60] Underfull \hbox (badness 10000) in paragraph at lines 2945--2946 Underfull \hbox (badness 10000) in paragraph at lines 2970--2971 Underfull \hbox (badness 10000) in paragraph at lines 2992--2993 [61] Underfull \hbox (badness 10000) in paragraph at lines 3012--3013 [62] Underfull \hbox (badness 10000) in paragraph at lines 3042--3043 Underfull \hbox (badness 10000) in paragraph at lines 3069--3070 [63] Underfull \hbox (badness 10000) in paragraph at lines 3100--3101 Underfull \hbox (badness 10000) in paragraph at lines 3134--3135 [64] Underfull \hbox (badness 10000) in paragraph at lines 3157--3158 Underfull \hbox (badness 10000) in paragraph at lines 3179--3180 [65] Underfull \hbox (badness 10000) in paragraph at lines 3199--3200 Overfull \hbox (32.02371pt too wide) in paragraph at lines 3235--3235 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & [66] Underfull \hbox (badness 10000) in paragraph at lines 3248--3249 Underfull \hbox (badness 10000) in paragraph at lines 3269--3270 [67] Underfull \hbox (badness 10000) in paragraph at lines 3293--3294 Underfull \hbox (badness 10000) in paragraph at lines 3318--3319 [68] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3344--3345 Underfull \hbox (badness 10000) in paragraph at lines 3363--3364 [69] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3397--3398 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3423--3423 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] [70] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3450--3451 [71] Underfull \hbox (badness 10000) in paragraph at lines 3488--3489 Underfull \hbox (badness 10000) in paragraph at lines 3519--3520 [72] Underfull \hbox (badness 10000) in paragraph at lines 3541--3542 Underfull \hbox (badness 10000) in paragraph at lines 3563--3564 [73] Underfull \hbox (badness 10000) in paragraph at lines 3583--3584 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3616--3617 [74] Underfull \hbox (badness 10000) in paragraph at lines 3666--3667 Overfull \hbox (2.63586pt too wide) in paragraph at lines 3669--3671 []\OT1/cmr/m/n/10.95 Calculates the Coulomb ma-trix el-e-ments of the type $\OM L/cmm/m/it/10.95 V\OT1/cmr/m/n/10.95 (1\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/ 10.95 1)$. See the rou-tine \OT1/cmtt/m/n/10.95 genvcl1223 [75] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3686--3686 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3687--3688 Underfull \hbox (badness 10000) in paragraph at lines 3714--3715 [76] Underfull \hbox (badness 10000) in paragraph at lines 3735--3736 Underfull \hbox (badness 10000) in paragraph at lines 3758--3759 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3777--3777 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & [77] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis, otherwise Overfull \hbox (3.28027pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3800--3801 [78] Underfull \hbox (badness 10000) in paragraph at lines 3823--3824 Overfull \hbox (20.52634pt too wide) in paragraph at lines 3844--3844 [] \OT1/cmtt/m/n/10.95 t4pil : .true. if the plane wave prefactor should be included (in,logical) Underfull \hbox (badness 10000) in paragraph at lines 3845--3846 [79] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3880--3881 Underfull \hbox (badness 10000) in paragraph at lines 3904--3905 [80] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3924--3924 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3925--3926 Underfull \hbox (badness 10000) in paragraph at lines 3944--3945 Underfull \hbox (badness 10000) in paragraph at lines 3962--3963 [81] Underfull \hbox (badness 10000) in paragraph at lines 3980--3981 Underfull \hbox (badness 10000) in paragraph at lines 4007--4008 [82] Underfull \hbox (badness 10000) in paragraph at lines 4033--4034 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4055--4055 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & Underfull \hbox (badness 10000) in paragraph at lines 4057--4058 [83] Underfull \hbox (badness 10000) in paragraph at lines 4076--4077 Underfull \hbox (badness 10000) in paragraph at lines 4094--4095 Underfull \hbox (badness 10000) in paragraph at lines 4112--4113 [84] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4128--4128 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 4142--4143 Overfull \hbox (14.77765pt too wide) in paragraph at lines 4167--4167 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4169--4170 [85] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4221--4221 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4223--4224 [86] Underfull \hbox (badness 10000) in paragraph at lines 4249--4250 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the m uffin-tin (in,integer)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial m esh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4280--4281 [87] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4311--4311 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4312--4313 [88] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4342--4342 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4343--4344 [89] Underfull \hbox (badness 10000) in paragraph at lines 4387--4388 Underfull \hbox (badness 10000) in paragraph at lines 4412--4413 [90] Underfull \hbox (badness 10000) in paragraph at lines 4444--4445 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4471--4471 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4472--4473 [91] Underfull \hbox (badness 10000) in paragraph at lines 4495--4496 [92] Underfull \hbox (badness 10000) in paragraph at lines 4519--4520 Underfull \hbox (badness 10000) in paragraph at lines 4550--4551 [93] Underfull \hbox (badness 10000) in paragraph at lines 4570--4571 Underfull \hbox (badness 10000) in paragraph at lines 4598--4599 [94] Underfull \hbox (badness 10000) in paragraph at lines 4623--4624 Underfull \hbox (badness 10000) in paragraph at lines 4646--4647 [95] Underfull \hbox (badness 10000) in paragraph at lines 4669--4670 Underfull \hbox (badness 10000) in paragraph at lines 4700--4701 [96] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,tempa,rho,rhoup,rhodn,g2 rho,g2up,g2dn,grho2, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup,vxdn,v cup,vcdn,dxdgr2,dxdgu2,&[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r,dxdg2u ,dxdg2d,dcdg2r,dcdg2u, &[] [97] Underfull \hbox (badness 10000) in paragraph at lines 4780--4781 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4783--4787 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third Underfull \hbox (badness 10000) in paragraph at lines 4808--4809 [98] Underfull \hbox (badness 10000) in paragraph at lines 4832--4833 Underfull \hbox (badness 10000) in paragraph at lines 4856--4857 [99] Underfull \hbox (badness 10000) in paragraph at lines 4893--4894 [100] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4941--4941 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4942--4943 [101] Underfull \hbox (badness 10000) in paragraph at lines 4972--4973 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,tempa,rho,rhoup,rhodn,grho,gup ,gdn,g2rho,g2up,g2dn, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tauup,taudn,e x,ec,vx,vc,vxup,vxdn, &[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcd gd2,dcdgud,dxdg2r, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 dxdg2u,dxdg2d,dcdg2r,dcdg2u,dcdg2d,wx,wxup,wxdn,wc,wcup ,wcdn,dtdr,dtdru,dtdrd,&[] [102] [103] Underfull \hbox (badness 10000) in paragraph at lines 5058--5059 Underfull \hbox (badness 10000) in paragraph at lines 5092--5093 [104] Underfull \hbox (badness 10000) in paragraph at lines 5116--5117 Underfull \hbox (badness 10000) in paragraph at lines 5137--5138 Overfull \hbox (32.02371pt too wide) in paragraph at lines 5149--5149 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] [105] Underfull \hbox (badness 10000) in paragraph at lines 5163--5164 Underfull \hbox (badness 10000) in paragraph at lines 5184--5185 [106] Underfull \hbox (badness 10000) in paragraph at lines 5207--5208 Underfull \hbox (badness 10000) in paragraph at lines 5237--5238 [107] Underfull \hbox (badness 10000) in paragraph at lines 5262--5263 Underfull \hbox (badness 10000) in paragraph at lines 5285--5286 [108] Underfull \hbox (badness 10000) in paragraph at lines 5317--5318 Underfull \hbox (badness 10000) in paragraph at lines 5343--5344 [109] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5368--5368 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5369--5370 Underfull \hbox (badness 10000) in paragraph at lines 5393--5394 [110] Overfull \hbox (3.28027pt too wide) in paragraph at lines 5420--5420 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5421--5422 Underfull \hbox (badness 10000) in paragraph at lines 5449--5450 [111] Underfull \hbox (badness 10000) in paragraph at lines 5479--5480 Underfull \hbox (badness 10000) in paragraph at lines 5501--5502 [112] Underfull \hbox (badness 10000) in paragraph at lines 5524--5525 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5527--5530 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- Underfull \hbox (badness 10000) in paragraph at lines 5548--5549 [113] Underfull \hbox (badness 10000) in paragraph at lines 5572--5573 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5590--5590 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5593--5594 [114] Underfull \hbox (badness 10000) in paragraph at lines 5618--5619 Underfull \hbox (badness 10000) in paragraph at lines 5637--5638 [115] Underfull \hbox (badness 10000) in paragraph at lines 5658--5659 Underfull \hbox (badness 10000) in paragraph at lines 5677--5678 Underfull \hbox (badness 10000) in paragraph at lines 5697--5698 [116] Underfull \hbox (badness 10000) in paragraph at lines 5717--5718 Underfull \hbox (badness 10000) in paragraph at lines 5737--5738 [117] Underfull \hbox (badness 10000) in paragraph at lines 5757--5758 Underfull \hbox (badness 10000) in paragraph at lines 5777--5778 Underfull \hbox (badness 10000) in paragraph at lines 5795--5796 [118] Underfull \hbox (badness 10000) in paragraph at lines 5829--5830 [119] Underfull \hbox (badness 10000) in paragraph at lines 5864--5865 [120] Underfull \hbox (badness 10000) in paragraph at lines 5899--5900 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5902--5904 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5921--5922 Underfull \hbox (badness 10000) in paragraph at lines 5942--5943 [121] Underfull \hbox (badness 10000) in paragraph at lines 5963--5964 Underfull \hbox (badness 10000) in paragraph at lines 5984--5985 [122] Underfull \hbox (badness 10000) in paragraph at lines 6005--6006 Underfull \hbox (badness 10000) in paragraph at lines 6026--6027 [123] Underfull \hbox (badness 10000) in paragraph at lines 6046--6047 Underfull \hbox (badness 10000) in paragraph at lines 6065--6066 Underfull \hbox (badness 10000) in paragraph at lines 6086--6087 [124] Underfull \hbox (badness 10000) in paragraph at lines 6108--6109 Underfull \hbox (badness 10000) in paragraph at lines 6128--6129 [125] Underfull \hbox (badness 10000) in paragraph at lines 6149--6150 Underfull \hbox (badness 10000) in paragraph at lines 6170--6171 Underfull \hbox (badness 10000) in paragraph at lines 6191--6192 [126] Underfull \hbox (badness 10000) in paragraph at lines 6218--6219 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6221--6223 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 6239--6240 [127] Underfull \hbox (badness 10000) in paragraph at lines 6257--6258 [128] Underfull \hbox (badness 10000) in paragraph at lines 6290--6291 Underfull \hbox (badness 10000) in paragraph at lines 6310--6311 [129] Underfull \hbox (badness 10000) in paragraph at lines 6332--6333 Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6365--6366 [130] Underfull \hbox (badness 10000) in paragraph at lines 6394--6395 Underfull \hbox (badness 10000) in paragraph at lines 6417--6418 [131] Underfull \hbox (badness 10000) in paragraph at lines 6440--6441 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6464--6464 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6465--6466 [132] Underfull \hbox (badness 10000) in paragraph at lines 6489--6490 Underfull \hbox (badness 10000) in paragraph at lines 6511--6512 [133] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6542--6543 [134] Underfull \hbox (badness 10000) in paragraph at lines 6573--6574 Underfull \hbox (badness 10000) in paragraph at lines 6592--6593 [135] Underfull \hbox (badness 10000) in paragraph at lines 6615--6616 Underfull \hbox (badness 10000) in paragraph at lines 6638--6639 [136] Underfull \hbox (badness 10000) in paragraph at lines 6673--6674 Underfull \hbox (badness 10000) in paragraph at lines 6725--6726 [137] Underfull \hbox (badness 10000) in paragraph at lines 6752--6753 [138] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6799--6799 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6800--6801 [139] Underfull \hbox (badness 10000) in paragraph at lines 6834--6835 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6873--6873 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (in,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 6874--6875 [140] Underfull \hbox (badness 10000) in paragraph at lines 6903--6904 [141] Underfull \hbox (badness 10000) in paragraph at lines 6925--6926 Underfull \hbox (badness 10000) in paragraph at lines 6955--6956 [142] Underfull \hbox (badness 10000) in paragraph at lines 6987--6988 [143] Underfull \hbox (badness 10000) in paragraph at lines 7015--7016 Underfull \hbox (badness 10000) in paragraph at lines 7050--7051 [144] Underfull \hbox (badness 10000) in paragraph at lines 7069--7070 Underfull \hbox (badness 10000) in paragraph at lines 7089--7090 [145] Underfull \hbox (badness 10000) in paragraph at lines 7116--7117 Underfull \hbox (badness 10000) in paragraph at lines 7139--7140 [146] Underfull \hbox (badness 10000) in paragraph at lines 7165--7166 Underfull \hbox (badness 10000) in paragraph at lines 7193--7194 [147] Underfull \hbox (badness 10000) in paragraph at lines 7220--7221 Underfull \hbox (badness 10000) in paragraph at lines 7240--7241 [148] Underfull \hbox (badness 10000) in paragraph at lines 7262--7263 Underfull \hbox (badness 10000) in paragraph at lines 7290--7291 [149] Underfull \hbox (badness 10000) in paragraph at lines 7313--7314 Underfull \hbox (badness 10000) in paragraph at lines 7337--7338 [150] Underfull \hbox (badness 10000) in paragraph at lines 7358--7359 Underfull \hbox (badness 10000) in paragraph at lines 7378--7379 [151] Underfull \hbox (badness 10000) in paragraph at lines 7407--7408 Underfull \hbox (badness 10000) in paragraph at lines 7430--7431 [152] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7469--7470 Underfull \hbox (badness 10000) in paragraph at lines 7498--7499 [153] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7517--7517 [] \OT1/cmtt/m/n/10.95 subroutine symrvf(tspin,tnc,nr,nri,np,ngdg,ngt,ngv,igf,l d1,rvfmt,ld2,rvfir) Overfull \hbox (3.28027pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7534--7535 [154] Underfull \hbox (badness 10000) in paragraph at lines 7571--7572 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7590--7590 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7591--7592 [155] Underfull \hbox (badness 10000) in paragraph at lines 7610--7611 Underfull \hbox (badness 10000) in paragraph at lines 7633--7634 [156] Underfull \hbox (badness 10000) in paragraph at lines 7675--7676 [157] Underfull \hbox (badness 10000) in paragraph at lines 7727--7728 [158] Underfull \hbox (badness 10000) in paragraph at lines 7747--7748 Underfull \hbox (badness 10000) in paragraph at lines 7770--7771 Underfull \hbox (badness 10000) in paragraph at lines 7789--7790 [159] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7822--7822 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7823--7824 [160] Underfull \hbox (badness 10000) in paragraph at lines 7859--7860 Underfull \hbox (badness 10000) in paragraph at lines 7889--7890 [161] Underfull \hbox (badness 10000) in paragraph at lines 7911--7912 Underfull \hbox (badness 10000) in paragraph at lines 7937--7938 [162] Underfull \hbox (badness 10000) in paragraph at lines 7956--7957 Underfull \hbox (badness 10000) in paragraph at lines 7974--7975 [163] Underfull \hbox (badness 10000) in paragraph at lines 7996--7997 Underfull \hbox (badness 10000) in paragraph at lines 8016--8017 [164] Underfull \hbox (badness 10000) in paragraph at lines 8040--8041 Underfull \hbox (badness 10000) in paragraph at lines 8060--8061 [165] Underfull \hbox (badness 10000) in paragraph at lines 8079--8080 Overfull \hbox (16.14984pt too wide) in paragraph at lines 8082--8084 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . Underfull \hbox (badness 10000) in paragraph at lines 8099--8100 Underfull \hbox (badness 10000) in paragraph at lines 8119--8120 [166] Underfull \hbox (badness 10000) in paragraph at lines 8139--8140 Underfull \hbox (badness 10000) in paragraph at lines 8162--8163 [167] Underfull \hbox (badness 10000) in paragraph at lines 8190--8191 Underfull \hbox (badness 10000) in paragraph at lines 8214--8215 [168] Underfull \hbox (badness 10000) in paragraph at lines 8235--8236 Underfull \hbox (badness 10000) in paragraph at lines 8263--8264 [169] Underfull \hbox (badness 10000) in paragraph at lines 8289--8290 Underfull \hbox (badness 10000) in paragraph at lines 8310--8311 [170] Underfull \hbox (badness 10000) in paragraph at lines 8330--8331 Underfull \hbox (badness 10000) in paragraph at lines 8352--8353 [171] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8372--8372 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 8393--8394 [172] Underfull \hbox (badness 10000) in paragraph at lines 8425--8426 Underfull \hbox (badness 10000) in paragraph at lines 8451--8452 [173] Underfull \hbox (badness 10000) in paragraph at lines 8480--8481 Underfull \hbox (badness 10000) in paragraph at lines 8504--8505 [174] Underfull \hbox (badness 10000) in paragraph at lines 8527--8528 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8555--8555 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8556--8557 [175] Underfull \hbox (badness 10000) in paragraph at lines 8585--8586 Underfull \hbox (badness 10000) in paragraph at lines 8606--8607 [176] Underfull \hbox (badness 10000) in paragraph at lines 8627--8628 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8651--8651 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8652--8653 [177] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8677--8677 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8678--8679 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8709--8709 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8710--8711 [178] Underfull \hbox (badness 10000) in paragraph at lines 8737--8738 [179] Underfull \hbox (badness 10000) in paragraph at lines 8767--8768 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8799--8799 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8800--8801 [180] Overfull \hbox (32.02371pt too wide) in paragraph at lines 8823--8823 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,ld1,rl,ngdg,igf,ngp,gpc,gc lgp,ld2,jlgprmt,ylmgp, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8848--8849 [181] [182] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8925--8925 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (out,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 8926--8927 [183] (./elk.aux) kpathsea: Running mktexpk --mfmode / --bdpi 600 --mag 1+0/600 --dpi 600 tcrm1095 mkdir: cannot create directory '././nonexistent': Permission denied mktexpk: Running mf-nowin -progname=mf \mode:=ljfour; mag:=1+0/600; nonstopmode; input tcrm1095 This is METAFONT, Version 2.71828182 (TeX Live 2025/dev/Debian) (preloaded base=mf) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/tcrm1095.mf (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/exbase.mf) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/tcrm.mf (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txsymb.mf Ok (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/exaccess.mf Ok) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txpseudo.mf Ok) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txaccent.mf Ok [0] [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [27] [29]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txgen.mf Ok [100] [109] [98] [99] [108]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txsymbol.mf Ok [13] [18] [21] [22] [23] [24] [25] [26] [28] [31] [32] [36] [39] [44] [45] [46] [42] [47] [60] [61] [62] [77] [79] [87] [110] [91] [93] [94] [95] [96] [126] [127] [128] [129] [130] [131] [132] [133] [134] [135] [136] [137] [138] [139] [140] [141] [142] [143] [144] [145] [146] [147] [148] [149] [150] [151] [152] [153] [154] [155] [156] [157] [158] [159] [160] [161] [162] [163] [164] [165] [166] [167] [168] [169] [171] [172] [173] [174] [175] [177] [176] [180] [181] [182] [183] [184] [187] [191] [214] [246]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txromod.mf Ok [48] [49] [50] [51] [52] [53] [54] [55] [56] [57]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txrsuper.mf Ok [185] [178] [179] [170] [186]) (/usr/share/texlive/texmf-dist/fonts/source/jknappen/ec/txrfract.mf Ok [188] [189] [190]) ) ) ) (some charht values had to be adjusted by as much as 0.06952pt) Font metrics written on tcrm1095.tfm. Output written on tcrm1095.600gf (128 characters, 25592 bytes). Transcript written on tcrm1095.log. mktexpk: /tmp/texfonts/pk/ljfour/jknappen/ec/tcrm1095.600pk: successfully generated. LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. Package rerunfilecheck Warning: File `elk.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. ) (see the transcript file for additional information) Output written on elk.pdf (183 pages, 673625 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-08-16> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./elk.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./elk.out) (./elk.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] (./elk.toc [2] [3] [4] [5] [6] [7] [8] [9]) [10] [11] [12] [13] [14] Overfull \hbox (14.77765pt too wide) in paragraph at lines 323--323 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [15] [16] [17] [18] [19] [20] [21] Overfull \hbox (0.95221pt too wide) in paragraph at lines 677--681 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] Underfull \hbox (badness 1924) in paragraph at lines 1383--1383 []|\OT1/cmr/m/n/10.95 Generate the RPA in-verse di-elec-tric func-tion with lo- cal con-tri-bu-tions [35] [36] [37] [38] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1536--1539 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [39] [40] [41] [42] [43] Underfull \hbox (badness 10000) in paragraph at lines 1736--1737 Underfull \hbox (badness 10000) in paragraph at lines 1766--1767 [44] Overfull \hbox (26.27502pt too wide) in paragraph at lines 1790--1790 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1809--1810 [45] Underfull \hbox (badness 10000) in paragraph at lines 1833--1834 Underfull \hbox (badness 10000) in paragraph at lines 1861--1862 Underfull \hbox (badness 10000) in paragraph at lines 1883--1884 [46] Underfull \hbox (badness 10000) in paragraph at lines 1906--1907 Underfull \hbox (badness 10000) in paragraph at lines 1931--1932 [47] Underfull \hbox (badness 10000) in paragraph at lines 1968--1969 [48] Underfull \hbox (badness 10000) in paragraph at lines 2004--2005 [49] Underfull \hbox (badness 10000) in paragraph at lines 2028--2029 Underfull \hbox (badness 10000) in paragraph at lines 2049--2050 Underfull \hbox (badness 10000) in paragraph at lines 2072--2073 [50] Underfull \hbox (badness 10000) in paragraph at lines 2096--2097 [51] Underfull \hbox (badness 10000) in paragraph at lines 2125--2126 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2154--2154 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 2155--2156 [52] Underfull \hbox (badness 10000) in paragraph at lines 2188--2189 [53] Underfull \hbox (badness 10000) in paragraph at lines 2214--2215 Underfull \hbox (badness 10000) in paragraph at lines 2251--2252 [54] Underfull \hbox (badness 10000) in paragraph at lines 2274--2275 [55] Underfull \hbox (badness 10000) in paragraph at lines 2338--2339 [56] Underfull \hbox (badness 10000) in paragraph at lines 2358--2359 Underfull \hbox (badness 10000) in paragraph at lines 2379--2380 Underfull \hbox (badness 10000) in paragraph at lines 2404--2405 [57] Underfull \hbox (badness 10000) in paragraph at lines 2433--2434 [58] Underfull \hbox (badness 10000) in paragraph at lines 2461--2462 Underfull \hbox (badness 10000) in paragraph at lines 2486--2487 [59] Underfull \hbox (badness 10000) in paragraph at lines 2509--2510 Overfull \hbox (32.02371pt too wide) in paragraph at lines 2540--2540 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2541--2542 [60] Underfull \hbox (badness 10000) in paragraph at lines 2573--2574 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2602--2602 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] [61] Underfull \hbox (badness 10000) in paragraph at lines 2603--2604 Underfull \hbox (badness 10000) in paragraph at lines 2625--2626 Underfull \hbox (badness 10000) in paragraph at lines 2647--2648 [62] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2684--2684 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2685--2686 [63] Underfull \hbox (badness 10000) in paragraph at lines 2713--2714 [64] Underfull \hbox (badness 10000) in paragraph at lines 2746--2747 Underfull \hbox (badness 10000) in paragraph at lines 2775--2776 [65] [66] Underfull \hbox (badness 10000) in paragraph at lines 2853--2854 Underfull \hbox (badness 10000) in paragraph at lines 2875--2876 [67] Underfull \hbox (badness 10000) in paragraph at lines 2899--2900 Underfull \hbox (badness 10000) in paragraph at lines 2924--2925 [68] Underfull \hbox (badness 10000) in paragraph at lines 2945--2946 Underfull \hbox (badness 10000) in paragraph at lines 2970--2971 Underfull \hbox (badness 10000) in paragraph at lines 2992--2993 [69] Underfull \hbox (badness 10000) in paragraph at lines 3012--3013 [70] Underfull \hbox (badness 10000) in paragraph at lines 3042--3043 Underfull \hbox (badness 10000) in paragraph at lines 3069--3070 [71] Underfull \hbox (badness 10000) in paragraph at lines 3100--3101 Underfull \hbox (badness 10000) in paragraph at lines 3134--3135 [72] Underfull \hbox (badness 10000) in paragraph at lines 3157--3158 Underfull \hbox (badness 10000) in paragraph at lines 3179--3180 [73] Underfull \hbox (badness 10000) in paragraph at lines 3199--3200 Overfull \hbox (32.02371pt too wide) in paragraph at lines 3235--3235 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & [74] Underfull \hbox (badness 10000) in paragraph at lines 3248--3249 Underfull \hbox (badness 10000) in paragraph at lines 3269--3270 [75] Underfull \hbox (badness 10000) in paragraph at lines 3293--3294 Underfull \hbox (badness 10000) in paragraph at lines 3318--3319 [76] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3344--3345 Underfull \hbox (badness 10000) in paragraph at lines 3363--3364 [77] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3397--3398 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3423--3423 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] [78] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3450--3451 [79] Underfull \hbox (badness 10000) in paragraph at lines 3488--3489 Underfull \hbox (badness 10000) in paragraph at lines 3519--3520 [80] Underfull \hbox (badness 10000) in paragraph at lines 3541--3542 Underfull \hbox (badness 10000) in paragraph at lines 3563--3564 [81] Underfull \hbox (badness 10000) in paragraph at lines 3583--3584 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3616--3617 [82] Underfull \hbox (badness 10000) in paragraph at lines 3666--3667 Overfull \hbox (2.63586pt too wide) in paragraph at lines 3669--3671 []\OT1/cmr/m/n/10.95 Calculates the Coulomb ma-trix el-e-ments of the type $\OM L/cmm/m/it/10.95 V\OT1/cmr/m/n/10.95 (1\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/ 10.95 1)$. See the rou-tine \OT1/cmtt/m/n/10.95 genvcl1223 [83] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3686--3686 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3687--3688 Underfull \hbox (badness 10000) in paragraph at lines 3714--3715 [84] Underfull \hbox (badness 10000) in paragraph at lines 3735--3736 Underfull \hbox (badness 10000) in paragraph at lines 3758--3759 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3777--3777 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & [85] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis, otherwise Overfull \hbox (3.28027pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3800--3801 [86] Underfull \hbox (badness 10000) in paragraph at lines 3823--3824 Overfull \hbox (20.52634pt too wide) in paragraph at lines 3844--3844 [] \OT1/cmtt/m/n/10.95 t4pil : .true. if the plane wave prefactor should be included (in,logical) Underfull \hbox (badness 10000) in paragraph at lines 3845--3846 [87] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3880--3881 Underfull \hbox (badness 10000) in paragraph at lines 3904--3905 [88] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3924--3924 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3925--3926 Underfull \hbox (badness 10000) in paragraph at lines 3944--3945 Underfull \hbox (badness 10000) in paragraph at lines 3962--3963 [89] Underfull \hbox (badness 10000) in paragraph at lines 3980--3981 Underfull \hbox (badness 10000) in paragraph at lines 4007--4008 [90] Underfull \hbox (badness 10000) in paragraph at lines 4033--4034 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4055--4055 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & Underfull \hbox (badness 10000) in paragraph at lines 4057--4058 [91] Underfull \hbox (badness 10000) in paragraph at lines 4076--4077 Underfull \hbox (badness 10000) in paragraph at lines 4094--4095 Underfull \hbox (badness 10000) in paragraph at lines 4112--4113 [92] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4128--4128 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 4142--4143 Overfull \hbox (14.77765pt too wide) in paragraph at lines 4167--4167 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4169--4170 [93] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4221--4221 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4223--4224 [94] Underfull \hbox (badness 10000) in paragraph at lines 4249--4250 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the m uffin-tin (in,integer)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial m esh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4280--4281 [95] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4311--4311 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4312--4313 [96] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4342--4342 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4343--4344 [97] Underfull \hbox (badness 10000) in paragraph at lines 4387--4388 Underfull \hbox (badness 10000) in paragraph at lines 4412--4413 [98] Underfull \hbox (badness 10000) in paragraph at lines 4444--4445 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4471--4471 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4472--4473 [99] Underfull \hbox (badness 10000) in paragraph at lines 4495--4496 [100] Underfull \hbox (badness 10000) in paragraph at lines 4519--4520 Underfull \hbox (badness 10000) in paragraph at lines 4550--4551 [101] Underfull \hbox (badness 10000) in paragraph at lines 4570--4571 Underfull \hbox (badness 10000) in paragraph at lines 4598--4599 [102] Underfull \hbox (badness 10000) in paragraph at lines 4623--4624 Underfull \hbox (badness 10000) in paragraph at lines 4646--4647 [103] Underfull \hbox (badness 10000) in paragraph at lines 4669--4670 Underfull \hbox (badness 10000) in paragraph at lines 4700--4701 [104] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,tempa,rho,rhoup,rhodn,g2 rho,g2up,g2dn,grho2, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup,vxdn,v cup,vcdn,dxdgr2,dxdgu2,&[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r,dxdg2u ,dxdg2d,dcdg2r,dcdg2u, &[] [105] Underfull \hbox (badness 10000) in paragraph at lines 4780--4781 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4783--4787 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third Underfull \hbox (badness 10000) in paragraph at lines 4808--4809 [106] Underfull \hbox (badness 10000) in paragraph at lines 4832--4833 Underfull \hbox (badness 10000) in paragraph at lines 4856--4857 [107] Underfull \hbox (badness 10000) in paragraph at lines 4893--4894 [108] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4941--4941 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4942--4943 [109] Underfull \hbox (badness 10000) in paragraph at lines 4972--4973 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,tempa,rho,rhoup,rhodn,grho,gup ,gdn,g2rho,g2up,g2dn, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tauup,taudn,e x,ec,vx,vc,vxup,vxdn, &[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcd gd2,dcdgud,dxdg2r, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 dxdg2u,dxdg2d,dcdg2r,dcdg2u,dcdg2d,wx,wxup,wxdn,wc,wcup ,wcdn,dtdr,dtdru,dtdrd,&[] [110] [111] Underfull \hbox (badness 10000) in paragraph at lines 5058--5059 Underfull \hbox (badness 10000) in paragraph at lines 5092--5093 [112] Underfull \hbox (badness 10000) in paragraph at lines 5116--5117 Underfull \hbox (badness 10000) in paragraph at lines 5137--5138 Overfull \hbox (32.02371pt too wide) in paragraph at lines 5149--5149 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] [113] Underfull \hbox (badness 10000) in paragraph at lines 5163--5164 Underfull \hbox (badness 10000) in paragraph at lines 5184--5185 [114] Underfull \hbox (badness 10000) in paragraph at lines 5207--5208 Underfull \hbox (badness 10000) in paragraph at lines 5237--5238 [115] Underfull \hbox (badness 10000) in paragraph at lines 5262--5263 Underfull \hbox (badness 10000) in paragraph at lines 5285--5286 [116] Underfull \hbox (badness 10000) in paragraph at lines 5317--5318 Underfull \hbox (badness 10000) in paragraph at lines 5343--5344 [117] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5368--5368 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5369--5370 Underfull \hbox (badness 10000) in paragraph at lines 5393--5394 [118] Overfull \hbox (3.28027pt too wide) in paragraph at lines 5420--5420 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5421--5422 Underfull \hbox (badness 10000) in paragraph at lines 5449--5450 [119] Underfull \hbox (badness 10000) in paragraph at lines 5479--5480 Underfull \hbox (badness 10000) in paragraph at lines 5501--5502 [120] Underfull \hbox (badness 10000) in paragraph at lines 5524--5525 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5527--5530 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- Underfull \hbox (badness 10000) in paragraph at lines 5548--5549 [121] Underfull \hbox (badness 10000) in paragraph at lines 5572--5573 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5590--5590 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5593--5594 [122] Underfull \hbox (badness 10000) in paragraph at lines 5618--5619 Underfull \hbox (badness 10000) in paragraph at lines 5637--5638 [123] Underfull \hbox (badness 10000) in paragraph at lines 5658--5659 Underfull \hbox (badness 10000) in paragraph at lines 5677--5678 Underfull \hbox (badness 10000) in paragraph at lines 5697--5698 [124] Underfull \hbox (badness 10000) in paragraph at lines 5717--5718 Underfull \hbox (badness 10000) in paragraph at lines 5737--5738 [125] Underfull \hbox (badness 10000) in paragraph at lines 5757--5758 Underfull \hbox (badness 10000) in paragraph at lines 5777--5778 Underfull \hbox (badness 10000) in paragraph at lines 5795--5796 [126] Underfull \hbox (badness 10000) in paragraph at lines 5829--5830 [127] Underfull \hbox (badness 10000) in paragraph at lines 5864--5865 [128] Underfull \hbox (badness 10000) in paragraph at lines 5899--5900 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5902--5904 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5921--5922 Underfull \hbox (badness 10000) in paragraph at lines 5942--5943 [129] Underfull \hbox (badness 10000) in paragraph at lines 5963--5964 Underfull \hbox (badness 10000) in paragraph at lines 5984--5985 [130] Underfull \hbox (badness 10000) in paragraph at lines 6005--6006 Underfull \hbox (badness 10000) in paragraph at lines 6026--6027 [131] Underfull \hbox (badness 10000) in paragraph at lines 6046--6047 Underfull \hbox (badness 10000) in paragraph at lines 6065--6066 Underfull \hbox (badness 10000) in paragraph at lines 6086--6087 [132] Underfull \hbox (badness 10000) in paragraph at lines 6108--6109 Underfull \hbox (badness 10000) in paragraph at lines 6128--6129 [133] Underfull \hbox (badness 10000) in paragraph at lines 6149--6150 Underfull \hbox (badness 10000) in paragraph at lines 6170--6171 Underfull \hbox (badness 10000) in paragraph at lines 6191--6192 [134] Underfull \hbox (badness 10000) in paragraph at lines 6218--6219 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6221--6223 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 6239--6240 [135] Underfull \hbox (badness 10000) in paragraph at lines 6257--6258 [136] Underfull \hbox (badness 10000) in paragraph at lines 6290--6291 Underfull \hbox (badness 10000) in paragraph at lines 6310--6311 [137] Underfull \hbox (badness 10000) in paragraph at lines 6332--6333 Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6365--6366 [138] Underfull \hbox (badness 10000) in paragraph at lines 6394--6395 Underfull \hbox (badness 10000) in paragraph at lines 6417--6418 [139] Underfull \hbox (badness 10000) in paragraph at lines 6440--6441 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6464--6464 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6465--6466 [140] Underfull \hbox (badness 10000) in paragraph at lines 6489--6490 Underfull \hbox (badness 10000) in paragraph at lines 6511--6512 [141] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6542--6543 [142] Underfull \hbox (badness 10000) in paragraph at lines 6573--6574 Underfull \hbox (badness 10000) in paragraph at lines 6592--6593 [143] Underfull \hbox (badness 10000) in paragraph at lines 6615--6616 Underfull \hbox (badness 10000) in paragraph at lines 6638--6639 [144] Underfull \hbox (badness 10000) in paragraph at lines 6673--6674 Underfull \hbox (badness 10000) in paragraph at lines 6725--6726 [145] Underfull \hbox (badness 10000) in paragraph at lines 6752--6753 [146] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6799--6799 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6800--6801 [147] Underfull \hbox (badness 10000) in paragraph at lines 6834--6835 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6873--6873 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (in,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 6874--6875 [148] Underfull \hbox (badness 10000) in paragraph at lines 6903--6904 [149] Underfull \hbox (badness 10000) in paragraph at lines 6925--6926 Underfull \hbox (badness 10000) in paragraph at lines 6955--6956 [150] Underfull \hbox (badness 10000) in paragraph at lines 6987--6988 [151] Underfull \hbox (badness 10000) in paragraph at lines 7015--7016 Underfull \hbox (badness 10000) in paragraph at lines 7050--7051 [152] Underfull \hbox (badness 10000) in paragraph at lines 7069--7070 Underfull \hbox (badness 10000) in paragraph at lines 7089--7090 [153] Underfull \hbox (badness 10000) in paragraph at lines 7116--7117 Underfull \hbox (badness 10000) in paragraph at lines 7139--7140 [154] Underfull \hbox (badness 10000) in paragraph at lines 7165--7166 Underfull \hbox (badness 10000) in paragraph at lines 7193--7194 [155] Underfull \hbox (badness 10000) in paragraph at lines 7220--7221 Underfull \hbox (badness 10000) in paragraph at lines 7240--7241 [156] Underfull \hbox (badness 10000) in paragraph at lines 7262--7263 Underfull \hbox (badness 10000) in paragraph at lines 7290--7291 [157] Underfull \hbox (badness 10000) in paragraph at lines 7313--7314 Underfull \hbox (badness 10000) in paragraph at lines 7337--7338 [158] Underfull \hbox (badness 10000) in paragraph at lines 7358--7359 Underfull \hbox (badness 10000) in paragraph at lines 7378--7379 [159] Underfull \hbox (badness 10000) in paragraph at lines 7407--7408 Underfull \hbox (badness 10000) in paragraph at lines 7430--7431 [160] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7469--7470 Underfull \hbox (badness 10000) in paragraph at lines 7498--7499 [161] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7517--7517 [] \OT1/cmtt/m/n/10.95 subroutine symrvf(tspin,tnc,nr,nri,np,ngdg,ngt,ngv,igf,l d1,rvfmt,ld2,rvfir) Overfull \hbox (3.28027pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7534--7535 [162] Underfull \hbox (badness 10000) in paragraph at lines 7571--7572 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7590--7590 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7591--7592 [163] Underfull \hbox (badness 10000) in paragraph at lines 7610--7611 Underfull \hbox (badness 10000) in paragraph at lines 7633--7634 [164] Underfull \hbox (badness 10000) in paragraph at lines 7675--7676 [165] Underfull \hbox (badness 10000) in paragraph at lines 7727--7728 [166] Underfull \hbox (badness 10000) in paragraph at lines 7747--7748 Underfull \hbox (badness 10000) in paragraph at lines 7770--7771 Underfull \hbox (badness 10000) in paragraph at lines 7789--7790 [167] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7822--7822 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7823--7824 [168] Underfull \hbox (badness 10000) in paragraph at lines 7859--7860 Underfull \hbox (badness 10000) in paragraph at lines 7889--7890 [169] Underfull \hbox (badness 10000) in paragraph at lines 7911--7912 Underfull \hbox (badness 10000) in paragraph at lines 7937--7938 [170] Underfull \hbox (badness 10000) in paragraph at lines 7956--7957 Underfull \hbox (badness 10000) in paragraph at lines 7974--7975 [171] Underfull \hbox (badness 10000) in paragraph at lines 7996--7997 Underfull \hbox (badness 10000) in paragraph at lines 8016--8017 [172] Underfull \hbox (badness 10000) in paragraph at lines 8040--8041 Underfull \hbox (badness 10000) in paragraph at lines 8060--8061 [173] Underfull \hbox (badness 10000) in paragraph at lines 8079--8080 Overfull \hbox (16.14984pt too wide) in paragraph at lines 8082--8084 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . Underfull \hbox (badness 10000) in paragraph at lines 8099--8100 Underfull \hbox (badness 10000) in paragraph at lines 8119--8120 [174] Underfull \hbox (badness 10000) in paragraph at lines 8139--8140 Underfull \hbox (badness 10000) in paragraph at lines 8162--8163 [175] Underfull \hbox (badness 10000) in paragraph at lines 8190--8191 Underfull \hbox (badness 10000) in paragraph at lines 8214--8215 [176] Underfull \hbox (badness 10000) in paragraph at lines 8235--8236 Underfull \hbox (badness 10000) in paragraph at lines 8263--8264 [177] Underfull \hbox (badness 10000) in paragraph at lines 8289--8290 Underfull \hbox (badness 10000) in paragraph at lines 8310--8311 [178] Underfull \hbox (badness 10000) in paragraph at lines 8330--8331 Underfull \hbox (badness 10000) in paragraph at lines 8352--8353 [179] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8372--8372 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 8393--8394 [180] Underfull \hbox (badness 10000) in paragraph at lines 8425--8426 Underfull \hbox (badness 10000) in paragraph at lines 8451--8452 [181] Underfull \hbox (badness 10000) in paragraph at lines 8480--8481 Underfull \hbox (badness 10000) in paragraph at lines 8504--8505 [182] Underfull \hbox (badness 10000) in paragraph at lines 8527--8528 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8555--8555 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8556--8557 [183] Underfull \hbox (badness 10000) in paragraph at lines 8585--8586 Underfull \hbox (badness 10000) in paragraph at lines 8606--8607 [184] Underfull \hbox (badness 10000) in paragraph at lines 8627--8628 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8651--8651 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8652--8653 [185] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8677--8677 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8678--8679 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8709--8709 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8710--8711 [186] Underfull \hbox (badness 10000) in paragraph at lines 8737--8738 [187] Underfull \hbox (badness 10000) in paragraph at lines 8767--8768 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8799--8799 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8800--8801 [188] Overfull \hbox (32.02371pt too wide) in paragraph at lines 8823--8823 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,ld1,rl,ngdg,igf,ngp,gpc,gc lgp,ld2,jlgprmt,ylmgp, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8848--8849 [189] [190] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8925--8925 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (out,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 8926--8927 [191] (./elk.aux) LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. ) (see the transcript file for additional information) Output written on elk.pdf (191 pages, 720595 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-08-16> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./elk.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./elk.out) (./elk.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map} <./elk_silhouette.pdf>] (./elk.toc [2] [3] [4] [5] [6] [7] [8] [9]) [10] [11] [12] [13] [14] Overfull \hbox (14.77765pt too wide) in paragraph at lines 323--323 [] \OT1/cmtt/m/n/10.95 1 0 1 2.00000 T : nsp, ls p, ksp, occsp, spcore[] [15] [16] [17] [18] [19] [20] [21] Overfull \hbox (0.95221pt too wide) in paragraph at lines 677--681 []\OT1/cmr/m/n/10.95 If \OT1/cmtt/m/n/10.95 fracinr \OT1/cmr/m/n/10.95 is neg-a -tive then the frac-tion is de-ter-mined from $\OML/cmm/m/it/10.95 f \OT1/cmr/m /n/10.95 = []$ [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] Underfull \hbox (badness 1924) in paragraph at lines 1383--1383 []|\OT1/cmr/m/n/10.95 Generate the RPA in-verse di-elec-tric func-tion with lo- cal con-tri-bu-tions [35] [36] [37] [38] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1536--1539 []\OT1/cmr/m/n/10.95 When this vari-able is \OT1/cmtt/m/n/10.95 .true.\OT1/cmr/ m/n/10.95 , the screened in-ter-ac-tion used in a $\OML/cmm/m/it/10.95 GW$ \OT1 /cmr/m/n/10.95 cal-cu-la-tion $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [39] [40] [41] [42] [43] Underfull \hbox (badness 10000) in paragraph at lines 1736--1737 Underfull \hbox (badness 10000) in paragraph at lines 1766--1767 [44] Overfull \hbox (26.27502pt too wide) in paragraph at lines 1790--1790 [] \OT1/cmtt/m/n/10.95 subroutine atom(sol,ptnucl,zn,nst,n,l,k,occ,xctype,xcgra d,nr,r,eval,rho,vr,rwf) Overfull \hbox (26.27502pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1808--1808 [] \OT1/cmtt/m/n/10.95 rwf : major and minor components of radial wavefu nctions for each state[] Underfull \hbox (badness 10000) in paragraph at lines 1809--1810 [45] Underfull \hbox (badness 10000) in paragraph at lines 1833--1834 Underfull \hbox (badness 10000) in paragraph at lines 1861--1862 Underfull \hbox (badness 10000) in paragraph at lines 1883--1884 [46] Underfull \hbox (badness 10000) in paragraph at lines 1906--1907 Underfull \hbox (badness 10000) in paragraph at lines 1931--1932 [47] Underfull \hbox (badness 10000) in paragraph at lines 1968--1969 [48] Underfull \hbox (badness 10000) in paragraph at lines 2004--2005 [49] Underfull \hbox (badness 10000) in paragraph at lines 2028--2029 Underfull \hbox (badness 10000) in paragraph at lines 2049--2050 Underfull \hbox (badness 10000) in paragraph at lines 2072--2073 [50] Underfull \hbox (badness 10000) in paragraph at lines 2096--2097 [51] Underfull \hbox (badness 10000) in paragraph at lines 2125--2126 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2154--2154 [] \OT1/cmtt/m/n/10.95 tocc : .true. if just the occupied orbitals should contribute to the DOS[] Underfull \hbox (badness 10000) in paragraph at lines 2155--2156 [52] Underfull \hbox (badness 10000) in paragraph at lines 2188--2189 [53] Underfull \hbox (badness 10000) in paragraph at lines 2214--2215 Underfull \hbox (badness 10000) in paragraph at lines 2251--2252 [54] Underfull \hbox (badness 10000) in paragraph at lines 2274--2275 [55] Underfull \hbox (badness 10000) in paragraph at lines 2338--2339 [56] Underfull \hbox (badness 10000) in paragraph at lines 2358--2359 Underfull \hbox (badness 10000) in paragraph at lines 2379--2380 Underfull \hbox (badness 10000) in paragraph at lines 2404--2405 [57] Underfull \hbox (badness 10000) in paragraph at lines 2433--2434 [58] Underfull \hbox (badness 10000) in paragraph at lines 2461--2462 Underfull \hbox (badness 10000) in paragraph at lines 2486--2487 [59] Underfull \hbox (badness 10000) in paragraph at lines 2509--2510 Overfull \hbox (32.02371pt too wide) in paragraph at lines 2540--2540 [] \OT1/cmtt/m/n/10.95 demax : maximum allowed change from the input energy ; enforced only if e < 0[] Underfull \hbox (badness 10000) in paragraph at lines 2541--2542 [60] Underfull \hbox (badness 10000) in paragraph at lines 2573--2574 Overfull \hbox (20.52634pt too wide) in paragraph at lines 2602--2602 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] [61] Underfull \hbox (badness 10000) in paragraph at lines 2603--2604 Underfull \hbox (badness 10000) in paragraph at lines 2625--2626 Underfull \hbox (badness 10000) in paragraph at lines 2647--2648 [62] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2684--2684 [] \OT1/cmtt/m/n/10.95 lspl : spatial rotation element in lattice point gro up for each symmetry[] Underfull \hbox (badness 10000) in paragraph at lines 2685--2686 [63] Underfull \hbox (badness 10000) in paragraph at lines 2713--2714 [64] Underfull \hbox (badness 10000) in paragraph at lines 2746--2747 Underfull \hbox (badness 10000) in paragraph at lines 2775--2776 [65] [66] Underfull \hbox (badness 10000) in paragraph at lines 2853--2854 Underfull \hbox (badness 10000) in paragraph at lines 2875--2876 [67] Underfull \hbox (badness 10000) in paragraph at lines 2899--2900 Underfull \hbox (badness 10000) in paragraph at lines 2924--2925 [68] Underfull \hbox (badness 10000) in paragraph at lines 2945--2946 Underfull \hbox (badness 10000) in paragraph at lines 2970--2971 Underfull \hbox (badness 10000) in paragraph at lines 2992--2993 [69] Underfull \hbox (badness 10000) in paragraph at lines 3012--3013 [70] Underfull \hbox (badness 10000) in paragraph at lines 3042--3043 Underfull \hbox (badness 10000) in paragraph at lines 3069--3070 [71] Underfull \hbox (badness 10000) in paragraph at lines 3100--3101 Underfull \hbox (badness 10000) in paragraph at lines 3134--3135 [72] Underfull \hbox (badness 10000) in paragraph at lines 3157--3158 Underfull \hbox (badness 10000) in paragraph at lines 3179--3180 [73] Underfull \hbox (badness 10000) in paragraph at lines 3199--3200 Overfull \hbox (32.02371pt too wide) in paragraph at lines 3235--3235 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & [74] Underfull \hbox (badness 10000) in paragraph at lines 3248--3249 Underfull \hbox (badness 10000) in paragraph at lines 3269--3270 [75] Underfull \hbox (badness 10000) in paragraph at lines 3293--3294 Underfull \hbox (badness 10000) in paragraph at lines 3318--3319 [76] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3343--3343 [] \OT1/cmtt/m/n/10.95 tvclvr : .true. if the non-local Coulomb potential f rom the core states is[] Underfull \hbox (badness 10000) in paragraph at lines 3344--3345 Underfull \hbox (badness 10000) in paragraph at lines 3363--3364 [77] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,inte ger(ngkmax,nspnfv))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3396--3396 [] \OT1/cmtt/m/n/10.95 vgpc : G+p-vectors in Cartesian coordinates (in,rea l(3,ngkmax,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3397--3398 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3423--3423 [] \OT1/cmtt/m/n/10.95 subroutine genppts(tfbz,nsym,sym,ngridp,npptnr,epslat,bv ec,boxl,nppt,ipvip, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 tfbz : .true. if vpl and vpc should be mapped to the first Brillouin zone Overfull \hbox (26.27502pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 nsym : number of point group symmetries used for reduction, set to 1 for[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] [78] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3449--3449 [] \OT1/cmtt/m/n/10.95 boxl : corners of box containing p-points in latt ice coordinates, the[] Underfull \hbox (badness 10000) in paragraph at lines 3450--3451 [79] Underfull \hbox (badness 10000) in paragraph at lines 3488--3489 Underfull \hbox (badness 10000) in paragraph at lines 3519--3520 [80] Underfull \hbox (badness 10000) in paragraph at lines 3541--3542 Underfull \hbox (badness 10000) in paragraph at lines 3563--3564 [81] Underfull \hbox (badness 10000) in paragraph at lines 3583--3584 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 jlgqr : spherical Bessel functions evaluated on the coarse radial mesh for[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3615--3615 [] \OT1/cmtt/m/n/10.95 ylmgq : spherical harmonics of the G+q-vectors (in, complex(lmmaxo,ngrf))[] Underfull \hbox (badness 10000) in paragraph at lines 3616--3617 [82] Underfull \hbox (badness 10000) in paragraph at lines 3666--3667 Overfull \hbox (2.63586pt too wide) in paragraph at lines 3669--3671 []\OT1/cmr/m/n/10.95 Calculates the Coulomb ma-trix el-e-ments of the type $\OM L/cmm/m/it/10.95 V\OT1/cmr/m/n/10.95 (1\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/10.95 2\OML/cmm/m/it/10.95 ; \OT1/cmr/m/n/ 10.95 1)$. See the rou-tine \OT1/cmtt/m/n/10.95 genvcl1223 [83] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3686--3686 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3687--3688 Underfull \hbox (badness 10000) in paragraph at lines 3714--3715 [84] Underfull \hbox (badness 10000) in paragraph at lines 3735--3736 Underfull \hbox (badness 10000) in paragraph at lines 3758--3759 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3777--3777 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & [85] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis, otherwise Overfull \hbox (3.28027pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 tgp : .true. if wfir should be in G+p-space, othe rwise in real-space[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3799--3799 [] \OT1/cmtt/m/n/10.95 wfmt : muffin-tin part of the wavefunctions for ev ery state in spherical[] Underfull \hbox (badness 10000) in paragraph at lines 3800--3801 [86] Underfull \hbox (badness 10000) in paragraph at lines 3823--3824 Overfull \hbox (20.52634pt too wide) in paragraph at lines 3844--3844 [] \OT1/cmtt/m/n/10.95 t4pil : .true. if the plane wave prefactor should be included (in,logical) Underfull \hbox (badness 10000) in paragraph at lines 3845--3846 [87] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 vgpl : G+p-vectors in lattice coordinates (out,rea l(3,ngkmax,nspnfv))[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3879--3879 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3880--3881 Underfull \hbox (badness 10000) in paragraph at lines 3904--3905 [88] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3924--3924 [] \OT1/cmtt/m/n/10.95 vcl1223 : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3925--3926 Underfull \hbox (badness 10000) in paragraph at lines 3944--3945 Underfull \hbox (badness 10000) in paragraph at lines 3962--3963 [89] Underfull \hbox (badness 10000) in paragraph at lines 3980--3981 Underfull \hbox (badness 10000) in paragraph at lines 4007--4008 [90] Underfull \hbox (badness 10000) in paragraph at lines 4033--4034 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4055--4055 [] \OT1/cmtt/m/n/10.95 subroutine ggair_sp_2b(g2up,g2dn,gvup,gvdn,vxup,vxdn,vcu p,vcdn,dxdgu2,dxdgd2, & Underfull \hbox (badness 10000) in paragraph at lines 4057--4058 [91] Underfull \hbox (badness 10000) in paragraph at lines 4076--4077 Underfull \hbox (badness 10000) in paragraph at lines 4094--4095 Underfull \hbox (badness 10000) in paragraph at lines 4112--4113 [92] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4128--4128 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_1(is,np,rhoup,rhodn,grho,gup,gdn,g2u p,g2dn,g3rho,g3up,g3dn) Underfull \hbox (badness 10000) in paragraph at lines 4142--4143 Overfull \hbox (14.77765pt too wide) in paragraph at lines 4167--4167 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2a(is,np,rhoup,rhodn,g2up,g2dn,gvup, gvdn,gup2,gdn2,gupdn) Underfull \hbox (badness 10000) in paragraph at lines 4169--4170 [93] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4221--4221 [] \OT1/cmtt/m/n/10.95 subroutine ggamt_sp_2b(is,np,g2up,g2dn,gvup,gvdn,vxup,vx dn,vcup,vcdn,dxdgu2, & Underfull \hbox (badness 10000) in paragraph at lines 4223--4224 [94] Underfull \hbox (badness 10000) in paragraph at lines 4249--4250 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the m uffin-tin (in,integer)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4279--4279 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial m esh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4280--4281 [95] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4311--4311 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4312--4313 [96] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4342--4342 [] \OT1/cmtt/m/n/10.95 wcr : weights for spline coefficients on radial me sh (in,real(12,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 4343--4344 [97] Underfull \hbox (badness 10000) in paragraph at lines 4387--4388 Underfull \hbox (badness 10000) in paragraph at lines 4412--4413 [98] Underfull \hbox (badness 10000) in paragraph at lines 4444--4445 Overfull \hbox (20.52634pt too wide) in paragraph at lines 4471--4471 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4472--4473 [99] Underfull \hbox (badness 10000) in paragraph at lines 4495--4496 [100] Underfull \hbox (badness 10000) in paragraph at lines 4519--4520 Underfull \hbox (badness 10000) in paragraph at lines 4550--4551 [101] Underfull \hbox (badness 10000) in paragraph at lines 4570--4571 Underfull \hbox (badness 10000) in paragraph at lines 4598--4599 [102] Underfull \hbox (badness 10000) in paragraph at lines 4623--4624 Underfull \hbox (badness 10000) in paragraph at lines 4646--4647 [103] Underfull \hbox (badness 10000) in paragraph at lines 4669--4670 Underfull \hbox (badness 10000) in paragraph at lines 4700--4701 [104] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,tempa,rho,rhoup,rhodn,g2 rho,g2up,g2dn,grho2, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup,vxdn,v cup,vcdn,dxdgr2,dxdgu2,&[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4734--4734 [] \OT1/cmtt/m/n/10.95 dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r,dxdg2u ,dxdg2d,dcdg2r,dcdg2u, &[] [105] Underfull \hbox (badness 10000) in paragraph at lines 4780--4781 Overfull \hbox (6.55638pt too wide) in paragraph at lines 4783--4787 \OT1/cmtt/m/n/10.95 http://www.tddft.org/programs/octopus/wiki/index.php/Libxc\ OT1/cmr/m/n/10.95 . The sec-ond and third Underfull \hbox (badness 10000) in paragraph at lines 4808--4809 [106] Underfull \hbox (badness 10000) in paragraph at lines 4832--4833 Underfull \hbox (badness 10000) in paragraph at lines 4856--4857 [107] Underfull \hbox (badness 10000) in paragraph at lines 4893--4894 [108] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4941--4941 [] \OT1/cmtt/m/n/10.95 nu : current output vector as well as the next input vector of the[] Underfull \hbox (badness 10000) in paragraph at lines 4942--4943 [109] Underfull \hbox (badness 10000) in paragraph at lines 4972--4973 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,tempa,rho,rhoup,rhodn,grho,gup ,gdn,g2rho,g2up,g2dn, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tauup,taudn,e x,ec,vx,vc,vxup,vxdn, &[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcd gd2,dcdgud,dxdg2r, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4998--4998 [] \OT1/cmtt/m/n/10.95 dxdg2u,dxdg2d,dcdg2r,dcdg2u,dcdg2d,wx,wxup,wxdn,wc,wcup ,wcdn,dtdr,dtdru,dtdrd,&[] [110] [111] Underfull \hbox (badness 10000) in paragraph at lines 5058--5059 Underfull \hbox (badness 10000) in paragraph at lines 5092--5093 [112] Underfull \hbox (badness 10000) in paragraph at lines 5116--5117 Underfull \hbox (badness 10000) in paragraph at lines 5137--5138 Overfull \hbox (32.02371pt too wide) in paragraph at lines 5149--5149 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] [113] Underfull \hbox (badness 10000) in paragraph at lines 5163--5164 Underfull \hbox (badness 10000) in paragraph at lines 5184--5185 [114] Underfull \hbox (badness 10000) in paragraph at lines 5207--5208 Underfull \hbox (badness 10000) in paragraph at lines 5237--5238 [115] Underfull \hbox (badness 10000) in paragraph at lines 5262--5263 Underfull \hbox (badness 10000) in paragraph at lines 5285--5286 [116] Underfull \hbox (badness 10000) in paragraph at lines 5317--5318 Underfull \hbox (badness 10000) in paragraph at lines 5343--5344 [117] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5368--5368 [] \OT1/cmtt/m/n/10.95 tproj : .true. if nf=3 and the vector function shoul d be projected onto the Underfull \hbox (badness 10000) in paragraph at lines 5369--5370 Underfull \hbox (badness 10000) in paragraph at lines 5393--5394 [118] Overfull \hbox (3.28027pt too wide) in paragraph at lines 5420--5420 [] \OT1/cmtt/m/n/10.95 vpl : connecting point vectors in lattice coordinat es (out,real(3,np))[] Underfull \hbox (badness 10000) in paragraph at lines 5421--5422 Underfull \hbox (badness 10000) in paragraph at lines 5449--5450 [119] Underfull \hbox (badness 10000) in paragraph at lines 5479--5480 Underfull \hbox (badness 10000) in paragraph at lines 5501--5502 [120] Underfull \hbox (badness 10000) in paragraph at lines 5524--5525 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5527--5530 []\OT1/cmr/m/n/10.95 Computes the Kohn-Sham ef-fec-tive po-ten-tial by adding t o-gether the Coulomb and exchange- Underfull \hbox (badness 10000) in paragraph at lines 5548--5549 [121] Underfull \hbox (badness 10000) in paragraph at lines 5572--5573 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5590--5590 [] \OT1/cmtt/m/n/10.95 subroutine potxc(tsh,xctype_,rhomt_,rhoir_,magmt_,magir_ ,taumt_,tauir_,exmt_, & Underfull \hbox (badness 10000) in paragraph at lines 5593--5594 [122] Underfull \hbox (badness 10000) in paragraph at lines 5618--5619 Underfull \hbox (badness 10000) in paragraph at lines 5637--5638 [123] Underfull \hbox (badness 10000) in paragraph at lines 5658--5659 Underfull \hbox (badness 10000) in paragraph at lines 5677--5678 Underfull \hbox (badness 10000) in paragraph at lines 5697--5698 [124] Underfull \hbox (badness 10000) in paragraph at lines 5717--5718 Underfull \hbox (badness 10000) in paragraph at lines 5737--5738 [125] Underfull \hbox (badness 10000) in paragraph at lines 5757--5758 Underfull \hbox (badness 10000) in paragraph at lines 5777--5778 Underfull \hbox (badness 10000) in paragraph at lines 5795--5796 [126] Underfull \hbox (badness 10000) in paragraph at lines 5829--5830 [127] Underfull \hbox (badness 10000) in paragraph at lines 5864--5865 [128] Underfull \hbox (badness 10000) in paragraph at lines 5899--5900 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5902--5904 []\OT1/cmr/m/n/10.95 Calculates the deriva-tive of the to-tal en-ergy w.r.t. th e second-variational co-ef-fi-cients \OT1/cmtt/m/n/10.95 evecsv\OT1/cmr/m/n/10. 95 . Underfull \hbox (badness 10000) in paragraph at lines 5921--5922 Underfull \hbox (badness 10000) in paragraph at lines 5942--5943 [129] Underfull \hbox (badness 10000) in paragraph at lines 5963--5964 Underfull \hbox (badness 10000) in paragraph at lines 5984--5985 [130] Underfull \hbox (badness 10000) in paragraph at lines 6005--6006 Underfull \hbox (badness 10000) in paragraph at lines 6026--6027 [131] Underfull \hbox (badness 10000) in paragraph at lines 6046--6047 Underfull \hbox (badness 10000) in paragraph at lines 6065--6066 Underfull \hbox (badness 10000) in paragraph at lines 6086--6087 [132] Underfull \hbox (badness 10000) in paragraph at lines 6108--6109 Underfull \hbox (badness 10000) in paragraph at lines 6128--6129 [133] Underfull \hbox (badness 10000) in paragraph at lines 6149--6150 Underfull \hbox (badness 10000) in paragraph at lines 6170--6171 Underfull \hbox (badness 10000) in paragraph at lines 6191--6192 [134] Underfull \hbox (badness 10000) in paragraph at lines 6218--6219 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6221--6223 []\OT1/cmr/m/n/10.95 Writes the deriva-tive of to-tal en-ergy with re-spect to oc-cu-pa-tion num-bers to file \OT1/cmtt/m/n/10.95 RDM[]DEDN.OUT\OT1/cmr/m/n/10 .95 . Underfull \hbox (badness 10000) in paragraph at lines 6239--6240 [135] Underfull \hbox (badness 10000) in paragraph at lines 6257--6258 [136] Underfull \hbox (badness 10000) in paragraph at lines 6290--6291 Underfull \hbox (badness 10000) in paragraph at lines 6310--6311 [137] Underfull \hbox (badness 10000) in paragraph at lines 6332--6333 Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir1 : first real interstitial function in real-spa ce (in,real(ngtot))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfmt2 : second function in real spherical harmonics for all muffin-tins[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6364--6364 [] \OT1/cmtt/m/n/10.95 rfir2 : second real interstitial function in real-sp ace (in,real(ngtot))[] Underfull \hbox (badness 10000) in paragraph at lines 6365--6366 [138] Underfull \hbox (badness 10000) in paragraph at lines 6394--6395 Underfull \hbox (badness 10000) in paragraph at lines 6417--6418 [139] Underfull \hbox (badness 10000) in paragraph at lines 6440--6441 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6464--6464 [] \OT1/cmtt/m/n/10.95 nri : number of radial mesh points on the inner pa rt of the muffin-tin[] Underfull \hbox (badness 10000) in paragraph at lines 6465--6466 [140] Underfull \hbox (badness 10000) in paragraph at lines 6489--6490 Underfull \hbox (badness 10000) in paragraph at lines 6511--6512 [141] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 igpig : index from G+p-vectors to G-vectors (in,int eger(ngkmax,nspnfv))[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 6541--6541 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6542--6543 [142] Underfull \hbox (badness 10000) in paragraph at lines 6573--6574 Underfull \hbox (badness 10000) in paragraph at lines 6592--6593 [143] Underfull \hbox (badness 10000) in paragraph at lines 6615--6616 Underfull \hbox (badness 10000) in paragraph at lines 6638--6639 [144] Underfull \hbox (badness 10000) in paragraph at lines 6673--6674 Underfull \hbox (badness 10000) in paragraph at lines 6725--6726 [145] Underfull \hbox (badness 10000) in paragraph at lines 6752--6753 [146] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6799--6799 [] \OT1/cmtt/m/n/10.95 zflm1 : coefficients of the complex spherical harmon ic expansion for each[] Underfull \hbox (badness 10000) in paragraph at lines 6800--6801 [147] Underfull \hbox (badness 10000) in paragraph at lines 6834--6835 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6873--6873 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (in,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 6874--6875 [148] Underfull \hbox (badness 10000) in paragraph at lines 6903--6904 [149] Underfull \hbox (badness 10000) in paragraph at lines 6925--6926 Underfull \hbox (badness 10000) in paragraph at lines 6955--6956 [150] Underfull \hbox (badness 10000) in paragraph at lines 6987--6988 [151] Underfull \hbox (badness 10000) in paragraph at lines 7015--7016 Underfull \hbox (badness 10000) in paragraph at lines 7050--7051 [152] Underfull \hbox (badness 10000) in paragraph at lines 7069--7070 Underfull \hbox (badness 10000) in paragraph at lines 7089--7090 [153] Underfull \hbox (badness 10000) in paragraph at lines 7116--7117 Underfull \hbox (badness 10000) in paragraph at lines 7139--7140 [154] Underfull \hbox (badness 10000) in paragraph at lines 7165--7166 Underfull \hbox (badness 10000) in paragraph at lines 7193--7194 [155] Underfull \hbox (badness 10000) in paragraph at lines 7220--7221 Underfull \hbox (badness 10000) in paragraph at lines 7240--7241 [156] Underfull \hbox (badness 10000) in paragraph at lines 7262--7263 Underfull \hbox (badness 10000) in paragraph at lines 7290--7291 [157] Underfull \hbox (badness 10000) in paragraph at lines 7313--7314 Underfull \hbox (badness 10000) in paragraph at lines 7337--7338 [158] Underfull \hbox (badness 10000) in paragraph at lines 7358--7359 Underfull \hbox (badness 10000) in paragraph at lines 7378--7379 [159] Underfull \hbox (badness 10000) in paragraph at lines 7407--7408 Underfull \hbox (badness 10000) in paragraph at lines 7430--7431 [160] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (in ,integer(nspecies))[] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7468--7468 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (in ,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7469--7470 Underfull \hbox (badness 10000) in paragraph at lines 7498--7499 [161] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7517--7517 [] \OT1/cmtt/m/n/10.95 subroutine symrvf(tspin,tnc,nr,nri,np,ngdg,ngt,ngv,igf,l d1,rvfmt,ld2,rvfir) Overfull \hbox (3.28027pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species (in ,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 nri : number of radial points on the inner part (i n,integer(nspecies))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 7533--7533 [] \OT1/cmtt/m/n/10.95 np : total number of points in each muffin-tin (i n,integer(nspecies))[] Underfull \hbox (badness 10000) in paragraph at lines 7534--7535 [162] Underfull \hbox (badness 10000) in paragraph at lines 7571--7572 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7590--7590 [] \OT1/cmtt/m/n/10.95 vca : vectors in Cartesian coordinates for all atoms (in,real(3,natmtot)) Underfull \hbox (badness 10000) in paragraph at lines 7591--7592 [163] Underfull \hbox (badness 10000) in paragraph at lines 7610--7611 Underfull \hbox (badness 10000) in paragraph at lines 7633--7634 [164] Underfull \hbox (badness 10000) in paragraph at lines 7675--7676 [165] Underfull \hbox (badness 10000) in paragraph at lines 7727--7728 [166] Underfull \hbox (badness 10000) in paragraph at lines 7747--7748 Underfull \hbox (badness 10000) in paragraph at lines 7770--7771 Underfull \hbox (badness 10000) in paragraph at lines 7789--7790 [167] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7822--7822 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7823--7824 [168] Underfull \hbox (badness 10000) in paragraph at lines 7859--7860 Underfull \hbox (badness 10000) in paragraph at lines 7889--7890 [169] Underfull \hbox (badness 10000) in paragraph at lines 7911--7912 Underfull \hbox (badness 10000) in paragraph at lines 7937--7938 [170] Underfull \hbox (badness 10000) in paragraph at lines 7956--7957 Underfull \hbox (badness 10000) in paragraph at lines 7974--7975 [171] Underfull \hbox (badness 10000) in paragraph at lines 7996--7997 Underfull \hbox (badness 10000) in paragraph at lines 8016--8017 [172] Underfull \hbox (badness 10000) in paragraph at lines 8040--8041 Underfull \hbox (badness 10000) in paragraph at lines 8060--8061 [173] Underfull \hbox (badness 10000) in paragraph at lines 8079--8080 Overfull \hbox (16.14984pt too wide) in paragraph at lines 8082--8084 []\OT1/cmr/m/n/10.95 Writes the lin-eari-sa-tion en-er-gies for all APW and loc al-orbital func-tions to the file \OT1/cmtt/m/n/10.95 LINENGY.OUT\OT1/cmr/m/n/1 0.95 . Underfull \hbox (badness 10000) in paragraph at lines 8099--8100 Underfull \hbox (badness 10000) in paragraph at lines 8119--8120 [174] Underfull \hbox (badness 10000) in paragraph at lines 8139--8140 Underfull \hbox (badness 10000) in paragraph at lines 8162--8163 [175] Underfull \hbox (badness 10000) in paragraph at lines 8190--8191 Underfull \hbox (badness 10000) in paragraph at lines 8214--8215 [176] Underfull \hbox (badness 10000) in paragraph at lines 8235--8236 Underfull \hbox (badness 10000) in paragraph at lines 8263--8264 [177] Underfull \hbox (badness 10000) in paragraph at lines 8289--8290 Underfull \hbox (badness 10000) in paragraph at lines 8310--8311 [178] Underfull \hbox (badness 10000) in paragraph at lines 8330--8331 Underfull \hbox (badness 10000) in paragraph at lines 8352--8353 [179] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8372--8372 [] \OT1/cmtt/m/n/10.95 subroutine xc_pbe(n,kappa,mu,beta,rhoup,rhodn,grho,gup,g dn,g2up,g2dn,g3rho, & Underfull \hbox (badness 10000) in paragraph at lines 8393--8394 [180] Underfull \hbox (badness 10000) in paragraph at lines 8425--8426 Underfull \hbox (badness 10000) in paragraph at lines 8451--8452 [181] Underfull \hbox (badness 10000) in paragraph at lines 8480--8481 Underfull \hbox (badness 10000) in paragraph at lines 8504--8505 [182] Underfull \hbox (badness 10000) in paragraph at lines 8527--8528 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8555--8555 [] \OT1/cmtt/m/n/10.95 dy : rotation matrix for complex spherical harmoni cs (out,real(ld,*))[] Underfull \hbox (badness 10000) in paragraph at lines 8556--8557 [183] Underfull \hbox (badness 10000) in paragraph at lines 8585--8586 Underfull \hbox (badness 10000) in paragraph at lines 8606--8607 [184] Underfull \hbox (badness 10000) in paragraph at lines 8627--8628 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8651--8651 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8652--8653 [185] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8677--8677 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8678--8679 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8709--8709 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] Underfull \hbox (badness 10000) in paragraph at lines 8710--8711 [186] Underfull \hbox (badness 10000) in paragraph at lines 8737--8738 [187] Underfull \hbox (badness 10000) in paragraph at lines 8767--8768 Overfull \hbox (3.28027pt too wide) in paragraph at lines 8799--8799 [] \OT1/cmtt/m/n/10.95 wpr : weights for partial integration on radial m esh (in,real(4,nr))[] Underfull \hbox (badness 10000) in paragraph at lines 8800--8801 [188] Overfull \hbox (32.02371pt too wide) in paragraph at lines 8823--8823 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,ld1,rl,ngdg,igf,ngp,gpc,gc lgp,ld2,jlgprmt,ylmgp, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 nr : number of radial points for each species ( in,integer(nspecies)) Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 jlgprmt : spherical Bessel functions for evergy G+p- vector and muffin-tin[] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 ylmgp : spherical harmonics of the G+p-vectors (in ,complex(lmmaxo,ngp))[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 8847--8847 [] \OT1/cmtt/m/n/10.95 sfacgp : structure factors of the G+p-vectors (in,c omplex(ld2,natmtot))[] Underfull \hbox (badness 10000) in paragraph at lines 8848--8849 [189] [190] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8925--8925 [] \OT1/cmtt/m/n/10.95 rflm : coefficients of real spherical harmonic expan sion (out,real(ld,n))[] Underfull \hbox (badness 10000) in paragraph at lines 8926--8927 [191] (./elk.aux) ) (see the transcript file for additional information) Output written on elk.pdf (191 pages, 720582 bytes). Transcript written on elk.log. make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src' (cd src/spacegroup; /usr/bin/make doc) make[2]: Entering directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' ../protex -s main.f90 modmain.f90 readinput.f90 gencrystal.f90 sgsymb.f90 seitzgen.f90 gengroup.f90 seitzeq.f90 seitzmul.f90 writegeom.f90 geomplot.f90 findprimcell.f90 r3frac.f90 r3mv.f90 r3cross.f90 r3minv.f90 r3mm.f90 > spacegroup.tex pdflatex spacegroup;pdflatex spacegroup;pdflatex spacegroup This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-08-16> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) No file spacegroup.aux. (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] No file spacegroup.toc. [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) LaTeX Warning: Label(s) may have changed. Rerun to get cross-references right. Package rerunfilecheck Warning: File `spacegroup.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 191519 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-08-16> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./spacegroup.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./spacegroup.out) (./spacegroup.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] (./spacegroup.toc) [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 198924 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.141592653-2.6-1.40.26 (TeX Live 2025/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2024-06-01> patch level 2 L3 programming layer <2024-08-16> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2024/02/08 v1.4n Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size11.clo)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/epsfig.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def)))) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/graphics/color.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics/mathcolor.ltx)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvsetkeys/kvsetkeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty))) (/usr/share/texlive/texmf-dist/tex/latex/etoolbox/etoolbox.sty) (/usr/share/texlive/texmf-dist/tex/generic/stringenc/stringenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) (./spacegroup.aux) (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) (./spacegroup.out) (./spacegroup.out) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) Overfull \hbox (17.24997pt too wide) in paragraph at lines 73--75 [][][][] Underfull \hbox (badness 10000) in paragraph at lines 73--75 [1{/var/lib/texmf/fonts/map/pdftex/updmap/pdftex.map}] (./spacegroup.toc) [2] [3] [4] Overfull \vbox (38.86952pt too high) has occurred while \output is active [5] Overfull \vbox (38.86952pt too high) has occurred while \output is active [6] Overfull \vbox (38.86952pt too high) has occurred while \output is active [7] Overfull \vbox (38.86952pt too high) has occurred while \output is active [8] Overfull \vbox (38.86952pt too high) has occurred while \output is active [9] Overfull \vbox (38.86952pt too high) has occurred while \output is active [10] Overfull \vbox (38.86952pt too high) has occurred while \output is active [11] Overfull \vbox (38.86952pt too high) has occurred while \output is active [12] Overfull \vbox (38.86952pt too high) has occurred while \output is active [13] Overfull \vbox (38.86952pt too high) has occurred while \output is active [14] [15] Underfull \hbox (badness 10000) in paragraph at lines 791--792 Underfull \hbox (badness 10000) in paragraph at lines 812--813 [16] Underfull \hbox (badness 10000) in paragraph at lines 835--836 Underfull \hbox (badness 10000) in paragraph at lines 858--859 Underfull \hbox (badness 10000) in paragraph at lines 878--879 [17] Underfull \hbox (badness 10000) in paragraph at lines 897--898 Underfull \hbox (badness 10000) in paragraph at lines 917--918 [18] (./spacegroup.aux) ) (see the transcript file for additional information) Output written on spacegroup.pdf (18 pages, 198924 bytes). Transcript written on spacegroup.log. make[2]: Leaving directory '/build/reproducible-path/elkcode-9.6.8/src/spacegroup' make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' (cd tests; OMPI_MCA_orte_rsh_agent=/bin/false bash ./tests_quick.sh) Running test in directory test_001... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 3 (Cu) from 2.4000 to 1.9694 Info(checkmt): changed muffin-tin radius of species 4 (O) from 1.8000 to 1.4770 Info(findsymcrys): atomic basis shift (lattice) : 0.5000000000 0.5000000000 0.5000000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 4 loops +-----------------------+ | Current task : 1 | +-----------------------+ Warning(gndstate): failed to reach self-consistency after 4 loops +-----------------------+ | Current task : 115 | +-----------------------+ Info(writeefg): electric field gradient written to EFG.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_002... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3202 Warning(gndstate): failed to reach self-consistency after 5 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_003... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Si) from 2.2000 to 2.1436 Info(findsymcrys): atomic basis shift (lattice) : 0.3650000000 0.3650000000 0.3650000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 10 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_005... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3615 Warning(gndstate): failed to reach self-consistency after 5 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_007... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ +-----------------------+ | Current task : 15 | +-----------------------+ Info(writelsj): muffin-tin L, S and J expectation values written to LSJ.OUT +-----------------------+ | Current task : 16 | +-----------------------+ Info(writelsj): muffin-tin L, S and J expectation values for each k-point and state in kstlist written to LSJ_KST.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_009... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (B) from 1.8000 to 1.6129 Info(checkmt): changed muffin-tin radius of species 2 (N+) from 1.4500 to 1.2993 Warning(gndstate): failed to reach self-consistency after 6 loops +-----------------------+ | Current task : 140 | +-----------------------+ Info(elnes): 1 of 8 k-points Info(elnes): 8 of 8 k-points Info(elnes): 4 of 8 k-points Info(elnes): 6 of 8 k-points Info(elnes): 3 of 8 k-points Info(elnes): 2 of 8 k-points Info(elnes): 7 of 8 k-points Info(elnes): 5 of 8 k-points Info(elnes): ELNES double differential cross-section written to ELNES.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_010... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (O) from 1.8000 to 0.9906 Info(checkmt): changed muffin-tin radius of species 2 (H) from 1.4000 to 0.7704 Warning(linengy): could not find 1 linearisation energies in s.c. loop 1 Warning(gndstate): failed to reach self-consistency after 2 loops Warning(linengy): could not find 1 linearisation energies in s.c. loop 2 +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_011... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Si) from 2.2000 to 2.1964 Info(findsymcrys): atomic basis shift (lattice) : 0.3750000000 0.3750000000 0.3750000000 See GEOMETRY.OUT for new atomic positions Warning(gndstate): failed to reach self-consistency after 2 loops +-----------------------+ | Current task : 5 | +-----------------------+ Info(genkmat): 2 of 2 k-points Info(genkmat): 1 of 2 k-points Info(hartfock): self-consistent loop number : 1 Info(eveqnhf): 1 of 2 k-points Info(eveqnhf): 2 of 2 k-points Info(hartfock): self-consistent loop number : 2 Info(eveqnhf): 2 of 2 k-points Info(eveqnhf): 1 of 2 k-points Info(exxengy): 2 of 2 k-points Info(exxengy): 1 of 2 k-points +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_013... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Fe) from 2.4000 to 2.3828 Info(checkmt): changed muffin-tin radius of species 2 (Al) from 2.2000 to 2.1842 Warning(gndstate): failed to reach self-consistency after 4 loops +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_014... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ Info(checkmt): changed muffin-tin radius of species 1 (Si) from 2.2000 to 2.1964 Info(findsymcrys): atomic basis shift (lattice) : 0.3750000000 0.3750000000 0.3750000000 See GEOMETRY.OUT for new atomic positions Info(oepvcl): 3 of 8 k-points Info(oepvcl): 1 of 8 k-points Info(oepvcl): 6 of 8 k-points Info(oepvcl): 5 of 8 k-points Info(oepvcl): 4 of 8 k-points Info(oepvcl): 8 of 8 k-points Info(oepvcl): 7 of 8 k-points Info(oepvcl): 2 of 8 k-points Info(oepmain): done 10 iterations of 20 Info(oepmain): done 20 iterations of 20 Warning(gndstate): failed to reach self-consistency after 2 loops Info(oepvcl): 2 of 8 k-points Info(oepvcl): 6 of 8 k-points Info(oepvcl): 3 of 8 k-points Info(oepvcl): 7 of 8 k-points Info(oepvcl): 1 of 8 k-points Info(oepvcl): 5 of 8 k-points Info(oepvcl): 4 of 8 k-points Info(oepvcl): 8 of 8 k-points Info(oepmain): done 10 iterations of 20 Info(oepmain): done 20 iterations of 20 Info(exxengy): 1 of 8 k-points Info(exxengy): 2 of 8 k-points Info(exxengy): 4 of 8 k-points Info(exxengy): 8 of 8 k-points Info(exxengy): 3 of 8 k-points Info(exxengy): 7 of 8 k-points Info(exxengy): 5 of 8 k-points Info(exxengy): 6 of 8 k-points +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed Running test in directory test_018... +---------------------------------+ | Elk code version 9.6.08 started | +---------------------------------+ Number of MPI processes : 1 Number of OpenMP threads per MPI process : 13 Total number of threads (MPI x OpenMP) : 13 Maximum OpenMP nesting level : 4 Number of OpenMP threads at first nesting level : 13 Number of MKL threads : 13 RAM disk enabled +-----------------------+ | Current task : 0 | +-----------------------+ +-----------------------+ | Current task : 205 | +-----------------------+ Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P1.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P1.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P1.OUT Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P2.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P2.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P2.OUT Info(phonon): working on DYN_Q0000_0000_0000_S01_A001_P3.OUT Info(phonon): working on DYN_Q0102_0000_0000_S01_A001_P3.OUT Info(phonon): working on DYN_Q0102_0102_0102_S01_A001_P3.OUT Info(dyntask): nothing more to do +-----------------------+ | Current task : 210 | +-----------------------+ Info(phdos): phonon density of states written to PHDOS.OUT thermodynamic properties written to THERMO.OUT +-----------------------+ | Current task : 500 | +-----------------------+ Info(testcheck): passed all tests +------------------+ | Elk code stopped | +------------------+ Passed for i in tests/test-*/test.log; do \ if [ -e $i ]; then \ echo "Error for test $i:"; \ sed -n -e '/^Error/,$p' $i; \ fi \ done make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary dh_testroot dh_prep dh_installdirs dh_auto_install --destdir=debian/elk-lapw/ debian/rules override_dh_install make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' dh_install mv /build/reproducible-path/elkcode-9.6.8/debian/elk-lapw/usr/bin/xps_exc.pl \ /build/reproducible-path/elkcode-9.6.8/debian/elk-lapw/usr/bin/xps_exc mv /build/reproducible-path/elkcode-9.6.8/debian/elk-lapw/usr/bin/elk \ /build/reproducible-path/elkcode-9.6.8/debian/elk-lapw/usr/bin/elk-lapw #bug #720044 make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' dh_installdocs debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/reproducible-path/elkcode-9.6.8' dh_installchangelogs release_notes.txt make[1]: Leaving directory '/build/reproducible-path/elkcode-9.6.8' dh_installexamples dh_installman dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dwz: debian/elk-lapw/usr/bin/elk-lapw: DWARF compression not beneficial - old size 826099 new size 838881 dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package elk-lapw: substitution variable ${perl:Depends} unused, but is defined dpkg-gencontrol: warning: package elk-lapw: substitution variable ${perl:Depends} unused, but is defined dh_md5sums dh_builddeb dpkg-deb: building package 'elk-lapw-dbgsym' in '../elk-lapw-dbgsym_9.6.8-1_i386.deb'. dpkg-deb: building package 'elk-lapw' in '../elk-lapw_9.6.8-1_i386.deb'. dpkg-genbuildinfo --build=binary -O../elkcode_9.6.8-1_i386.buildinfo dpkg-genchanges --build=binary -O../elkcode_9.6.8-1_i386.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full 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/60455 and its subdirectories I: Current time: Fri Oct 11 13:52:58 -12 2024 I: pbuilder-time-stamp: 1728697978