Input buildinfo: https://buildinfos.debian.net/buildinfo-pool/e/elkcode/elkcode_8.3.22-2_amd64.buildinfo Use metasnap for getting required timestamps New buildinfo file: /tmp/elkcode-8.3.22-2sriv5dgs/elkcode_8.3.22-2_amd64.buildinfo Get source package info: elkcode=8.3.22-2 Source URL: http://snapshot.notset.fr/mr/package/elkcode/8.3.22-2/srcfiles?fileinfo=1 env -i PATH=/usr/sbin:/usr/bin:/sbin:/bin TMPDIR=/tmp mmdebstrap --arch=amd64 --include=adduser=3.120 autoconf=2.71-2 automake=1:1.16.5-1.1 autopoint=0.21-4 autotools-dev=20220109.1 base-files=12.2 base-passwd=3.5.52 bash=5.1-6 binutils=2.38-2 binutils-common=2.38-2 binutils-x86-64-linux-gnu=2.38-2 bsdextrautils=2.37.3-1+b1 bsdutils=1:2.37.3-1+b1 build-essential=12.9 bzip2=1.0.8-5 coreutils=8.32-4.1 cpp=4:11.2.0-2 cpp-11=11.2.0-18 dash=0.5.11+git20210903+057cd650a4ed-7 debconf=1.5.79 debhelper=13.6 debianutils=5.7-0.1 dh-autoreconf=20 dh-strip-nondeterminism=1.13.0-1 diffutils=1:3.7-5 dpkg=1.21.1 dpkg-dev=1.21.1 dwz=0.14-1 file=1:5.41-2 findutils=4.9.0-2 fontconfig-config=2.13.1-4.4 fonts-dejavu-core=2.37-2 fonts-lmodern=2.005-1 g++=4:11.2.0-2 g++-11=11.2.0-18 gcc=4:11.2.0-2 gcc-11=11.2.0-18 gcc-11-base=11.2.0-18 gcc-12-base=12-20220302-1 gettext=0.21-4 gettext-base=0.21-4 gfortran=4:11.2.0-2 gfortran-11=11.2.0-18 grep=3.7-1 groff-base=1.22.4-8 gzip=1.10-4 hostname=3.23 ibverbs-providers=39.0-1 init-system-helpers=1.62 intltool-debian=0.35.0+20060710.5 libacl1=2.3.1-1 libapache-pom-java=18-1 libarchive-zip-perl=1.68-1 libasan6=11.2.0-18 libatomic1=12-20220302-1 libattr1=1:2.5.1-1 libaudit-common=1:3.0.7-1 libaudit1=1:3.0.7-1 libbinutils=2.38-2 libblas-dev=3.10.0-2 libblas3=3.10.0-2 libblkid1=2.37.3-1+b1 libbrotli1=1.0.9-2+b3 libbsd0=0.11.5-1+b1 libbz2-1.0=1.0.8-5 libc-bin=2.33-7 libc-dev-bin=2.33-7 libc6=2.33-7 libc6-dev=2.33-7 libcairo2=1.16.0-5 libcap-ng0=0.7.9-2.2+b1 libcap2=1:2.44-1 libcbor0.8=0.8.0-2 libcc1-0=12-20220302-1 libcom-err2=1.46.5-2 libcommons-logging-java=1.2-2 libcommons-parent-java=43-1 libcrypt-dev=1:4.4.27-1.1 libcrypt1=1:4.4.27-1.1 libctf-nobfd0=2.38-2 libctf0=2.38-2 libcurl3-gnutls=7.82.0-1 libdb5.3=5.3.28+dfsg1-0.8 libdebconfclient0=0.261 libdebhelper-perl=13.6 libdpkg-perl=1.21.1 libedit2=3.1-20210910-1 libelf1=0.186-1 libevent-2.1-7=2.1.12-stable-1 libevent-core-2.1-7=2.1.12-stable-1 libevent-dev=2.1.12-stable-1 libevent-extra-2.1-7=2.1.12-stable-1 libevent-openssl-2.1-7=2.1.12-stable-1 libevent-pthreads-2.1-7=2.1.12-stable-1 libexpat1=2.4.7-1 libfabric1=1.11.0-3 libffi8=3.4.2-4 libfftw3-bin=3.3.8-2 libfftw3-dev=3.3.8-2 libfftw3-double3=3.3.8-2 libfftw3-long3=3.3.8-2 libfftw3-quad3=3.3.8-2 libfftw3-single3=3.3.8-2 libfido2-1=1.10.0-1 libfile-stripnondeterminism-perl=1.13.0-1 libfontbox-java=1:1.8.16-2 libfontconfig1=2.13.1-4.4 libfreetype6=2.11.1+dfsg-1 libgcc-11-dev=11.2.0-18 libgcc-s1=12-20220302-1 libgcrypt20=1.9.4-5 libgdbm-compat4=1.23-1 libgdbm6=1.23-1 libgfortran-11-dev=11.2.0-18 libgfortran5=12-20220302-1 libglib2.0-0=2.70.4-1 libgmp10=2:6.2.1+dfsg-3 libgnutls30=3.7.3-4+b1 libgomp1=12-20220302-1 libgpg-error0=1.43-3 libgraphite2-3=1.3.14-1 libgssapi-krb5-2=1.19.2-2 libharfbuzz0b=2.7.4-1 libhogweed6=3.7.3-1 libhwloc-dev=2.7.0-2 libhwloc-plugins=2.7.0-2 libhwloc15=2.7.0-2 libibverbs-dev=39.0-1 libibverbs1=39.0-1 libice6=2:1.0.10-1 libicu67=67.1-7 libidn2-0=2.3.2-2 libisl23=0.24-2 libitm1=12-20220302-1 libjs-jquery=3.6.0+dfsg+~3.5.13-1 libjs-jquery-ui=1.13.1+dfsg-1 libk5crypto3=1.19.2-2 libkeyutils1=1.6.1-3 libkpathsea6=2021.20210626.59705-1 libkrb5-3=1.19.2-2 libkrb5support0=1.19.2-2 liblapack-dev=3.10.0-2 liblapack3=3.10.0-2 libldap-2.4-2=2.4.59+dfsg-1+b1 liblsan0=12-20220302-1 libltdl-dev=2.4.6-15 libltdl7=2.4.6-15 liblz4-1=1.9.3-2 liblzma5=5.2.5-2 libmagic-mgc=1:5.41-2 libmagic1=1:5.41-2 libmd0=1.0.4-1 libmount1=2.37.3-1+b1 libmpc3=1.2.1-1 libmpdec3=2.5.1-2 libmpfr6=4.1.0-3 libncursesw6=6.3-2 libnettle8=3.7.3-1 libnghttp2-14=1.43.0-1 libnl-3-200=3.5.0-0.1 libnl-3-dev=3.5.0-0.1 libnl-route-3-200=3.5.0-0.1 libnl-route-3-dev=3.5.0-0.1 libnsl-dev=1.3.0-2 libnsl2=1.3.0-2 libnuma-dev=2.0.14-3 libnuma1=2.0.14-3 libopenmpi-dev=4.1.2-2 libopenmpi3=4.1.2-2 libp11-kit0=0.24.0-6 libpam-modules=1.4.0-11 libpam-modules-bin=1.4.0-11 libpam-runtime=1.4.0-11 libpam0g=1.4.0-11 libpaper-utils=1.1.28+b1 libpaper1=1.1.28+b1 libpciaccess0=0.16-3 libpcre2-8-0=10.39-3 libpcre3=2:8.39-13 libpdfbox-java=1:1.8.16-2 libperl5.34=5.34.0-3 libpipeline1=1.5.5-1 libpixman-1-0=0.40.0-1 libpmix-dev=4.1.2-2 libpmix2=4.1.2-2 libpng16-16=1.6.37-3 libpsl5=0.21.0-1.2 libpsm-infinipath1=3.3+20.604758e7-6.1 libpsm2-2=11.2.185-1 libptexenc1=2021.20210626.59705-1 libpython3-stdlib=3.9.8-1 libpython3.9-minimal=3.9.10-2 libpython3.9-stdlib=3.9.10-2 libquadmath0=12-20220302-1 librdmacm1=39.0-1 libreadline8=8.1.2-1 librtmp1=2.4+20151223.gitfa8646d.1-2+b2 libsasl2-2=2.1.28+dfsg-2 libsasl2-modules-db=2.1.28+dfsg-2 libseccomp2=2.5.3-2 libselinux1=3.3-1+b1 libsemanage-common=3.3-1 libsemanage2=3.3-1+b1 libsepol2=3.3-1 libsigsegv2=2.14-1 libsm6=2:1.2.3-1 libsmartcols1=2.37.3-1+b1 libsqlite3-0=3.38.0-1 libssh2-1=1.10.0-3 libssl1.1=1.1.1m-1 libstdc++-11-dev=11.2.0-18 libstdc++6=12-20220302-1 libsub-override-perl=0.09-2 libsynctex2=2021.20210626.59705-1 libsystemd0=250.3-2 libtasn1-6=4.18.0-4 libteckit0=2.5.11+ds1-1 libtexlua53=2021.20210626.59705-1 libtexluajit2=2021.20210626.59705-1 libtinfo6=6.3-2 libtirpc-common=1.3.2-2 libtirpc-dev=1.3.2-2 libtirpc3=1.3.2-2 libtool=2.4.6-15 libtsan0=11.2.0-18 libubsan1=12-20220302-1 libuchardet0=0.0.7-1 libucx0=1.12.1~rc3-1 libudev1=250.3-2 libunistring2=1.0-1 libuuid1=2.37.3-1+b1 libwannier90-dev=3.1.0+ds-7 libx11-6=2:1.7.2-2+b1 libx11-data=2:1.7.2-2 libxau6=1:1.0.9-1 libxaw7=2:1.0.14-1 libxc-dev=5.1.7-1 libxc9=5.1.7-1 libxcb-render0=1.14-3 libxcb-shm0=1.14-3 libxcb1=1.14-3 libxdmcp6=1:1.1.2-3 libxext6=2:1.3.4-1 libxi6=2:1.8-1 libxml2=2.9.13+dfsg-1 libxmu6=2:1.1.3-3 libxnvctrl0=470.103.01-1 libxpm4=1:3.5.12-1 libxrender1=1:0.9.10-1 libxt6=1:1.2.1-1 libzstd1=1.4.8+dfsg-3 libzzip-0-13=0.13.72+dfsg.1-1.1 linux-libc-dev=5.16.12-1 login=1:4.11.1+dfsg1-2 lsb-base=11.1.0 m4=1.4.18-5 make=4.3-4.1 man-db=2.10.1-1 mawk=1.3.4.20200120-3+b1 media-types=6.0.0 mpi-default-bin=1.14 mpi-default-dev=1.14 ncurses-base=6.3-2 ncurses-bin=6.3-2 ocl-icd-libopencl1=2.2.14-3 openmpi-bin=4.1.2-2 openmpi-common=4.1.2-2 openssh-client=1:8.9p1-3 passwd=1:4.11.1+dfsg1-2 patch=2.7.6-7 perl=5.34.0-3 perl-base=5.34.0-3 perl-modules-5.34=5.34.0-3 pkg-config=0.29.2-1 po-debconf=1.0.21+nmu1 preview-latex-style=12.2-1 python3=3.9.8-1 python3-minimal=3.9.8-1 python3.9=3.9.10-2 python3.9-minimal=3.9.10-2 readline-common=8.1.2-1 rpcsvc-proto=1.4.2-4 sed=4.8-1 sensible-utils=0.0.17 sysvinit-utils=3.01-1 t1utils=1.41-4 tar=1.34+dfsg-1 tex-common=6.17 texlive-base=2021.20220204-1 texlive-binaries=2021.20210626.59705-1 texlive-latex-base=2021.20220204-1 texlive-latex-extra=2021.20220204-1 texlive-latex-recommended=2021.20220204-1 texlive-pictures=2021.20220204-1 tzdata=2021e-1 ucf=3.0043 util-linux=2.37.3-1+b1 x11-common=1:7.7+23 xdg-utils=1.1.3-4.1 xz-utils=5.2.5-2 zlib1g=1:1.2.11.dfsg-2 zlib1g-dev=1:1.2.11.dfsg-2 --variant=apt --aptopt=Acquire::Check-Valid-Until "false" --aptopt=Acquire::http::Dl-Limit "1000"; --aptopt=Acquire::https::Dl-Limit "1000"; --aptopt=Acquire::Retries "5"; --aptopt=APT::Get::allow-downgrades "true"; --keyring=/usr/share/keyrings/ --essential-hook=chroot "$1" sh -c "apt-get --yes install fakeroot util-linux" --essential-hook=copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ --essential-hook=chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20220315T031124Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20220315T031124Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20220322T154229Z/ unstable main deb http://snapshot.notset.fr/archive/debian/20220310T094339Z/ unstable main' >> /etc/apt/sources.list && apt-get update" --customize-hook=chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash --customize-hook=chroot "$1" env sh -c "apt-get source --only-source -d elkcode=8.3.22-2 && mkdir -p /build/elkcode-Xm2KIJ && dpkg-source --no-check -x /*.dsc /build/elkcode-Xm2KIJ/elkcode-8.3.22 && chown -R builduser:builduser /build/elkcode-Xm2KIJ" --customize-hook=chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/elkcode-Xm2KIJ/elkcode-8.3.22 && env DEB_BUILD_OPTIONS="parallel=4" LANG="C.UTF-8" LC_ALL="C.UTF-8" LC_COLLATE="C.UTF-8" SOURCE_DATE_EPOCH="1647107268" DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -uc -a amd64 --build=any" --customize-hook=sync-out /build/elkcode-Xm2KIJ /tmp/elkcode-8.3.22-2sriv5dgs bookworm /dev/null deb http://snapshot.notset.fr/archive/debian/20220310T094339Z unstable main I: automatically chosen mode: root I: chroot architecture amd64 is equal to the host's architecture I: automatically chosen format: null I: using /tmp/mmdebstrap.blmDqnCKmW as tempdir I: running apt-get update... I: downloading packages with apt... I: extracting archives... I: installing essential packages... I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "apt-get --yes install fakeroot util-linux"' exec /tmp/mmdebstrap.blmDqnCKmW Reading package lists... Building dependency tree... util-linux is already the newest version (2.37.3-1+b1). The following NEW packages will be installed: fakeroot libfakeroot 0 upgraded, 2 newly installed, 0 to remove and 0 not upgraded. Need to get 135 kB of archives. After this operation, 406 kB of additional disk space will be used. Get:1 http://snapshot.notset.fr/archive/debian/20220310T094339Z unstable/main amd64 libfakeroot amd64 1.28-1 [48.2 kB] Get:2 http://snapshot.notset.fr/archive/debian/20220310T094339Z unstable/main amd64 fakeroot amd64 1.28-1 [87.2 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 135 kB in 0s (851 kB/s) Selecting previously unselected package libfakeroot:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 4691 files and directories currently installed.) Preparing to unpack .../libfakeroot_1.28-1_amd64.deb ... Unpacking libfakeroot:amd64 (1.28-1) ... Selecting previously unselected package fakeroot. Preparing to unpack .../fakeroot_1.28-1_amd64.deb ... Unpacking fakeroot (1.28-1) ... Setting up libfakeroot:amd64 (1.28-1) ... Setting up fakeroot (1.28-1) ... update-alternatives: using /usr/bin/fakeroot-sysv to provide /usr/bin/fakeroot (fakeroot) in auto mode Processing triggers for libc-bin (2.33-7) ... I: running special hook: copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20220315T031124Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20220315T031124Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20220322T154229Z/ unstable main deb http://snapshot.notset.fr/archive/debian/20220310T094339Z/ unstable main' >> /etc/apt/sources.list && apt-get update"' exec /tmp/mmdebstrap.blmDqnCKmW Get:1 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm InRelease [130 kB] Get:2 http://snapshot.notset.fr/archive/debian/20220322T154229Z unstable InRelease [165 kB] Hit:3 http://snapshot.notset.fr/archive/debian/20220310T094339Z unstable InRelease Ign:4 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main amd64 Packages Ign:4 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main amd64 Packages Ign:4 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main amd64 Packages Get:4 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main Sources [11.9 MB] Get:5 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main amd64 Packages [11.3 MB] Ign:6 http://snapshot.notset.fr/archive/debian/20220322T154229Z unstable/main amd64 Packages Err:6 http://snapshot.notset.fr/archive/debian/20220322T154229Z unstable/main amd64 Packages 404 Not Found [IP: 10.13.0.253 80] Ign:6 http://snapshot.notset.fr/archive/debian/20220322T154229Z unstable/main amd64 Packages Get:6 http://snapshot.notset.fr/archive/debian/20220322T154229Z unstable/main amd64 Packages [12.3 MB] Fetched 35.9 MB in 29s (1233 kB/s) Reading package lists... I: installing remaining packages inside the chroot... I: running --customize-hook in shell: sh -c 'chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash' exec /tmp/mmdebstrap.blmDqnCKmW I: running --customize-hook in shell: sh -c 'chroot "$1" env sh -c "apt-get source --only-source -d elkcode=8.3.22-2 && mkdir -p /build/elkcode-Xm2KIJ && dpkg-source --no-check -x /*.dsc /build/elkcode-Xm2KIJ/elkcode-8.3.22 && chown -R builduser:builduser /build/elkcode-Xm2KIJ"' exec /tmp/mmdebstrap.blmDqnCKmW Reading package lists... NOTICE: 'elkcode' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/debichem-team/elkcode.git Please use: git clone https://salsa.debian.org/debichem-team/elkcode.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 4126 kB of source archives. Get:1 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main elkcode 8.3.22-2 (dsc) [2081 B] Get:2 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main elkcode 8.3.22-2 (tar) [4114 kB] Get:3 http://snapshot.notset.fr/archive/debian/20220315T031124Z bookworm/main elkcode 8.3.22-2 (diff) [9828 B] Fetched 4126 kB in 3s (1292 kB/s) Download complete and in download only mode W: Download is performed unsandboxed as root as file 'elkcode_8.3.22-2.dsc' couldn't be accessed by user '_apt'. - pkgAcquire::Run (13: Permission denied) dpkg-source: info: extracting elkcode in /build/elkcode-Xm2KIJ/elkcode-8.3.22 dpkg-source: info: unpacking elkcode_8.3.22.orig.tar.gz dpkg-source: info: unpacking elkcode_8.3.22-2.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: running --customize-hook in shell: sh -c 'chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/elkcode-Xm2KIJ/elkcode-8.3.22 && env DEB_BUILD_OPTIONS="parallel=4" LANG="C.UTF-8" LC_ALL="C.UTF-8" LC_COLLATE="C.UTF-8" SOURCE_DATE_EPOCH="1647107268" DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -uc -a amd64 --build=any"' exec /tmp/mmdebstrap.blmDqnCKmW dpkg-buildpackage: info: source package elkcode dpkg-buildpackage: info: source version 8.3.22-2 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Michael Banck dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 fakeroot debian/rules clean dh clean debian/rules override_dh_auto_clean make[1]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' dh_auto_clean make -j10 distclean make[2]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' Makefile:4: make.inc: No such file or directory make[2]: *** No rule to make target 'make.inc'. Stop. make[2]: Leaving directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' dh_auto_clean: error: make -j10 distclean returned exit code 2 make[1]: [debian/rules:19: override_dh_auto_clean] Error 25 (ignored) rm -f make.inc make[1]: Leaving directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' dh_clean debian/rules build-arch dh build-arch dh_update_autotools_config -a dh_autoreconf -a dh_auto_configure -a debian/rules override_dh_auto_build make[1]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' cat make.def make.inc.in > make.inc dh_auto_build --no-parallel make -j1 "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' cd src; make all make[3]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22/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 modramdisk.f90:282:48: 264 | call rvcopy(3,file(fnum)%rec(irec)%dat(i),v1) | 2 ...... 282 | call rvcopy(2*nzv,file(fnum)%rec(irec)%dat(i),zva) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). modramdisk.f90:189:16: 189 | call rvcopy(3,v1,file(fnum)%rec(irec)%dat(i)) | 1 ...... 264 | call rvcopy(3,file(fnum)%rec(irec)%dat(i),v1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). 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.f90:2212:26: 2212 | 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 modstore.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 oblas_stub.f90 oblas_stub.f90:8:47: 8 | subroutine openblas_set_num_threads(num_threads) | 1 Warning: Unused dummy argument ‘num_threads’ 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 oblas_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 blis_stub.f90 blis_stub.f90:8:49: 8 | subroutine bli_thread_set_num_threads(num_threads) | 1 Warning: Unused dummy argument ‘num_threads’ 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 blis_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 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 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 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: ‘rm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mtdmin.f90:67:17: Warning: ‘d2m’ may be used uninitialized in this function [-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 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 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 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 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 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.f90:135:52: 135 | t1=sqrt(mag(i,1)**2+mag(i,2)**2+mag(i,3)**2) | ^ Warning: ‘mag.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:32: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: ‘mag.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:32: Warning: ‘mag.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:41: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: ‘bxc.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:41: Warning: ‘bxc.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:41: Warning: ‘bxc.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:40:37: 40 | real(8), allocatable :: wx(:),wxup(:),wxdn(:) | ^ Warning: ‘wxup.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:40:29: 40 | real(8), allocatable :: wx(:),wxup(:),wxdn(:) | ^ Warning: ‘wx.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:31:37: 31 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vxup.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:31:45: 31 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vxdn.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:31:29: 31 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vx.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:50: 33 | real(8), allocatable :: mag(:,:),bxc(:,:),tau(:,:) | ^ Warning: ‘tau.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcmt.f90:33:50: Warning: ‘tau.offset’ may be used uninitialized in this function [-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 genzfrm.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 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 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 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.f90:153:52: 153 | t1=t1-t2*rfmtint(nr,nri,wrmt(:,is),grfmt(:,i)) | ^ Warning: ‘t2’ may be used uninitialized in this function [-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 genvbmatk.f90 genvbmatk.f90:50:17: 50 | wfmt1(1:npc,:)=wfmt(1:npc,ias,1,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:51:22: 51 | wfmt1(npc+1:npc2,:)=wfmt(1:npc,ias,2,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvbmatk.f90:95:18: 95 | wfmt4(1:npc2)=wfmt2(1:npc2) | 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.f90:42:52: 42 | complex(8), allocatable :: evecfv(:,:,:),evecsv(:,:) | ^ Warning: ‘evecsv.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] forcek.f90:42:52: Warning: ‘evecsv.offset’ may be used uninitialized in this function [-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 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 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 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 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 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 factnm.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.f90:26:52: 26 | complex(8), allocatable :: evecsv1(:,:),evecsv2(:,:) | ^ Warning: ‘evecsv2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] genexpmat.f90:26:52: Warning: ‘evecsv2.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] genexpmat.f90:26:39: 26 | complex(8), allocatable :: evecsv1(:,:),evecsv2(:,:) | ^ Warning: ‘evecsv1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] genexpmat.f90:26:39: Warning: ‘evecsv1.offset’ may be used uninitialized in this function [-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 genzrho.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.f90:100:21: 100 | wfmt6(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.f90:303:25: 303 | deallocate(wfir1,wfir2) | ^ Warning: ‘a3’ may be used uninitialized in this function [-Wmaybe-uninitialized] eveqnsv.f90:303:25: Warning: ‘a2’ may be used uninitialized in this function [-Wmaybe-uninitialized] eveqnsv.f90:303:25: Warning: ‘a1’ may be used uninitialized in this function [-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 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.f90:123:16: 123 | i2=i2+lmmaxo | ^ Warning: ‘i2’ may be used uninitialized in this function [-Wmaybe-uninitialized] wavefcr.f90:122:16: 122 | i1=i1+lmmaxo | ^ Warning: ‘i1’ may be used uninitialized in this function [-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 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 zftzf.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 | pure 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 gengvclns.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 potxcir.f90:26:37: 26 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vxup.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] potxcir.f90:26:45: 26 | real(8), allocatable :: vx(:),vxup(:),vxdn(:) | ^ Warning: ‘vxdn.dim[0].ubound’ may be used uninitialized in this function [-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 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 rzfmtinp.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.f90:49:19: 49 | wfmt1(1:npc,:)=wfmt(1:npc,ias,ispn,:) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to COMPLEX(4) at (1) [-Wconversion] genvmatk.f90:54:19: 54 | wfmt2(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.f90:63:23: 63 | wfmt2(1:npc)=wfmt2(1:npc)+wfmt3(1:npc) | 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: ‘IMAGPART_EXPR ’ may be used uninitialized in this function [-Wmaybe-uninitialized] eveqnss.f90:25:13: 25 | complex(8) zq | ^ note: ‘IMAGPART_EXPR ’ was declared here 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 in this function [-Wmaybe-uninitialized] eveqnss.f90:25:13: 25 | complex(8) zq | ^ note: ‘REALPART_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 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 oepresk.f90:172:50: 172 | call rzadd(npcmt(is),za,zfmt(:,ias),rfmt(:,ias)) | 1 Warning: Type mismatch in argument ‘zv’ at (1); passed COMPLEX(8) to REAL(8) oepresk.f90:174:30: 174 | call rzadd(ngtot,za,zfir,rfir) | 1 Warning: Type mismatch in argument ‘zv’ at (1); passed COMPLEX(8) to REAL(8) oepresk.f90:81:51: 81 | call rzadd(npc,z1,zfmt1,dvxmt(:,ias)) | 1 Warning: Type mismatch in argument ‘zv’ at (1); passed COMPLEX(8) to REAL(8) oepresk.f90:83:65: 83 | call rzadd(npc,z1,zvfmt1(:,idm),dbxmt(:,ias,idm)) | 1 Warning: Type mismatch in argument ‘zv’ at (1); passed COMPLEX(8) to REAL(8) oepresk.f90:26:40: 26 | complex(8), allocatable :: zvfmt2(:,:,:),zvfir2(:,:) | ^ Warning: ‘zvfmt2.dim[2].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] oepresk.f90:26:52: 26 | complex(8), allocatable :: zvfmt2(:,:,:),zvfir2(:,:) | ^ Warning: ‘zvfir2.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] oepresk.f90:24:47: 24 | complex(8), allocatable :: zfmt1(:),zvfmt1(:,:) | ^ Warning: ‘zvfmt1.dim[1].stride’ may be used uninitialized in this function [-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 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.f90:98:35: 55 | call genwfsv(.false.,.false.,nstsv,0,ngdgc,igfc,ngk(1,ikp),igkig(:,1,ikp), & | 2 ...... 98 | call genwfsv(.false.,.false.,nst,idx,ngdgc,igfc,ngk(1,ik),igkig(:,1,ik), & | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) 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 in this function [-Wmaybe-uninitialized] rfhkintp.f90:71:34: 71 | t2=(vhpl(2)-v0(2))*dble(ngridk(2)) | ^ Warning: ‘v0[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized] rfhkintp.f90:75:34: 75 | t2=(vhpl(3)-v0(3))*dble(ngridk(3)) | ^ Warning: ‘v0[2]’ may be used uninitialized in this function [-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 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 findsymcrys.f90:195:27: 195 | v1(:)=atposl(:,1,1)-v0(:) | ^ Warning: ‘v0[2]’ may be used uninitialized in this function [-Wmaybe-uninitialized] findsymcrys.f90:195:27: Warning: ‘v0[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] findsymcrys.f90:195:27: Warning: ‘v0[1]’ may be used uninitialized in this function [-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 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 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 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 --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c testcheck.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pade.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wsplint.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gensocfr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c pades.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genscss.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfcmtwr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c nonlinopt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhocore.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rzfinp.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 -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wfmtsv.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlistl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c olpalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c hmlalo.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get 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` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c charge.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c moment.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfint0.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c r3mdet.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gencfrc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c checkstop.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genbs.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfirsm.f90 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 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 gradwf2.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c closefiles.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writelinen.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtlm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c 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 -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c sortidx.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symmat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c radnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c symrvf.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writeqpts.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --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` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genolpq.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjlgprmt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfinterp.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c fsmooth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c axangrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rotaxang.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wspline.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c splined.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findswidth.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsymlat.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get 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 zftwfir.f90 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 -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writefermi.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rfmtctof.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c findsym.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c zfsht.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c rhonorm.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -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 zfmtconj.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 -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genhvec.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c ylmrot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c wxcplot.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c massnucl.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gendmatk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --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 findscq.f90:58:38: 58 | +(i1*scl(2,1)-i2*scl(1,1))**2 | ^ Warning: ‘scl’ may be used uninitialized [-Wmaybe-uninitialized] findscq.f90:17:16: 17 | integer scl(3,3),i,n | ^ note: ‘scl’ declared here findscq.f90:58:38: 58 | +(i1*scl(2,1)-i2*scl(1,1))**2 | ^ Warning: ‘scl’ may be used uninitialized [-Wmaybe-uninitialized] findscq.f90:17:16: 17 | integer scl(3,3),i,n | ^ note: ‘scl’ declared here findscq.f90:58:38: 58 | +(i1*scl(2,1)-i2*scl(1,1))**2 | ^ Warning: ‘scl’ may be used uninitialized [-Wmaybe-uninitialized] findscq.f90:17:16: 17 | integer scl(3,3),i,n | ^ note: ‘scl’ declared here findscq.f90:84:44: 84 | +scl(3,2)*(i1*scl(2,1)-i2*scl(1,1)) | ^ Warning: ‘scl’ may be used uninitialized [-Wmaybe-uninitialized] findscq.f90:17:16: 17 | integer scl(3,3),i,n | ^ note: ‘scl’ declared here findscq.f90:84:44: 84 | +scl(3,2)*(i1*scl(2,1)-i2*scl(1,1)) | ^ Warning: ‘scl’ may be used uninitialized [-Wmaybe-uninitialized] findscq.f90:17:16: 17 | integer scl(3,3),i,n | ^ note: ‘scl’ declared here findscq.f90:84:44: 84 | +scl(3,2)*(i1*scl(2,1)-i2*scl(1,1)) | ^ Warning: ‘scl’ may be used uninitialized [-Wmaybe-uninitialized] findscq.f90:17:16: 17 | integer scl(3,3),i,n | ^ note: ‘scl’ 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 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.f90:119:35: 52 | call genwfsv(.false.,.true.,nstsv,0,ngdgc,igfc,ngk(1,ikp),igkig(:,1,ikp), & | 2 ...... 119 | call genwfsv(.false.,.false.,nst,idx,ngdgc,igfc,ngk(1,ik),igkig(:,1,ik), & | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) 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 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c xc_c_tb09.f90 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.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dos.f90:343:25: Warning: ‘elm.offset’ may be used uninitialized in this function [-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 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 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 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 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 genzrm.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 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 zfinp.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 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 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.f90:196:8: 196 | 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 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 rvcopy.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 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 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 gndsteph.f90:46:42: 42 | call mixerifc(mixtype,nmix,duvwx,dv,nwork,duvwx) | 2 ...... 46 | call mixerifc(mixtype,nmix,duvwx,dv,nwork,work) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). 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 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 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 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.f90:32:37: 32 | complex(8), allocatable :: wfmt1(:,:),wfmt2(:),dwfmt1(:,:) | ^ Warning: ‘wfmt1.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] gendwfsv.f90:32:58: 32 | complex(8), allocatable :: wfmt1(:,:),wfmt2(:),dwfmt1(:,:) | ^ Warning: ‘dwfmt1.dim[1].stride’ may be used uninitialized in this function [-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 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 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.f90:16:44: 16 | complex(8), allocatable :: dvmt(:),dbmt(:,:),zfmt(:) | ^ Warning: ‘dbmt.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dpotxc.f90:16:44: Warning: ‘dbmt.offset’ may be used uninitialized in this function [-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 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.f90:30:38: 30 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ Warning: ‘evecsv.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dforcek.f90:30:38: Warning: ‘evecsv.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] dforcek.f90:30:51: 30 | complex(8), allocatable :: evecsv(:,:),devecsv(:,:) | ^ Warning: ‘devecsv.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] dforcek.f90:30:51: Warning: ‘devecsv.offset’ may be used uninitialized in this function [-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 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 phonon.f90:119:41: 80 | call mixerifc(mtype,nmix,dvsbs,ddv,nwork,dvsbs) | 2 ...... 119 | call mixerifc(mtype,nmix,dvsbs,ddv,nwork,work) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). 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 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_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 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 writetm3td.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*vclijji(ist2,ist1,ik2) | ^ Warning: ‘t2’ may be used uninitialized in this function [-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 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*vclijji(ist2,ist1,ik2) | ^ Warning: ‘t2’ may be used uninitialized in this function [-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 genvclijjk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvclijji.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c getvclijjk.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevclijji.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writevclijjk.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 | vclijjk(ist1,ist3,ist4,ik2) | ^ Warning: ‘t2’ may be used uninitialized in this function [-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 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 genvclijji.f90 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 ksinvert.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c gtwsum.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 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--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 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 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-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 -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c readafieldt.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c genjr.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c tddft.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c timestep.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.f90:18:57: Warning: ‘mag.offset’ may be used uninitialized in this function [-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 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 readdatposc.f90 mpif90 `dpkg-buildflags --get FFLAGS` `dpkg-buildflags --get CPPFLAGS` -Wall -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch `dpkg-buildflags --get LDFLAGS` -c writedatposc.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 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.f90:48:19: 48 | 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] 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.f90:161:10: 161 | 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.f90:162:10: 162 | 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.f90:131:10: 131 | 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.f90:132:10: 132 | 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 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 gndstulr.f90:79:42: 75 | call mixerifc(mixtype,nmix,vsbsq,dv,nwork,vsbsq) | 2 ...... 79 | call mixerifc(mixtype,nmix,vsbsq,dv,nwork,work) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). 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 dmatuv.f90 dmatuv.f90:21:8: 21 | vn(i)=dot_product(v(:,i),v(:,i)) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to REAL(8) 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 dmatwx.f90 dmatwx.f90:19:8: 19 | xn(i)=dot_product(x(:,i),x(:,i)) | 1 Warning: Possible change of value in conversion from COMPLEX(8) to REAL(8) 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 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 genwfuv.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 modstore.o modpw.o modvars.o modtddft.o modgw.o modulr.o modbog.o moddelf.o modomp.o mkl_stub.o mkl_init.o oblas_stub.o oblas_init.o blis_stub.o blis_init.o modw90.o zfftifc_fftw.o elk.o r3mm.o r3mtm.o r3mmt.o r3vo.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 symdmat.o z2mm.o z2mctm.o z2mmct.o axangsu2.o gradzvcln.o gentpmae.o zfcmtwr.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 genzfrm.o mixadapt.o zftrf.o sbessel.o gengclgq.o gencfun.o factr.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 zpotcoul.o sfacmag.o polynm.o epsinv.o rfinpc.o zmctmu.o zmctm.o writeiad.o genapwfr.o gengclq.o addbfsm.o genylmv.o olpfv.o hmlfv.o genexpmt.o rfinp.o factnm.o sphcover.o sctovec.o genppts.o eveqnzg.o fderiv.o genpmat.o genexpmat.o writeforces.o r3cross.o match.o genspchi0.o genzrho.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 zftzf.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 gengvclns.o ssfext.o writestate.o sdelta_sq.o potxcir.o potxc.o rzfmtinp.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 elnes.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 rzfinp.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 rfirsm.o rfmtsm.o rfint.o gradwf2.o closefiles.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 zftwfir.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 zfmtconj.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 xc_c_tb09.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 gcd.o lopzflmn.o zpotclmt.o readfermi.o gensdmat.o symrfmt.o sphcrd.o potcoul.o genzrm.o rminv.o rtozfmt.o genwfsvp.o rdiracint.o rotzflm.o zfinp.o latvstep.o gradzfmt.o eveqnfv.o cbsht.o cfsht.o wfmtsv_sp.o wfirsv.o genwfsv_sp.o ggamt_4.o ggair_4.o trzhmm.o rvcopy.o dolpistl.o dhmlistl.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 gendcfun.o gendvsig.o drhomagsh.o doccupy.o dhmlrad.o gendwfsv.o dwfmtfv.o gengqvec.o dmatch.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_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 writetm3td.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 genvclijjk.o getvclijji.o getvclijjk.o writevclijji.o writevclijjk.o rdmdexcdc.o rdmdtsdn.o rdmentropy.o rdmeval.o genvclijji.o gwdmat.o gwlocal.o genwgw.o ksinvert.o gtwsum.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 gwscrho.o atptstep.o potkst.o tdbackup.o writetimes.o readtimes.o gentimes.o readafieldt.o genjr.o tddft.o timestep.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 readdatposc.o writedatposc.o rhostatic.o jtotk.o rhosplot.o bornecdyn.o becforce.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 dmatuv.o dmatwx.o eveqnuv.o eveqnwxy.o writeevaluv.o occupyuv.o genwfuv.o putevaluv.o getevaluv.o putevecuv.o getevecuv.o putevecwxy.o getevecwxy.o putevalwx.o getevalwx.o aceplot.o writeevalwx.o -lwannier -llapack -lblas `pkg-config --cflags --libs fftw3` \ `pkg-config --cflags --libs libxc` -lxcf90 make[3]: Leaving directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22/src' cd src/eos; make make[3]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22/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/elkcode-Xm2KIJ/elkcode-8.3.22/src/eos' cd src/spacegroup; make make[3]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22/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/elkcode-Xm2KIJ/elkcode-8.3.22/src/spacegroup' make[2]: Leaving directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' (cd src; /usr/bin/make doc) make[2]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22/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 modstore.f90 modpw.f90 modvars.f90 modtddft.f90 modgw.f90 modulr.f90 modbog.f90 moddelf.f90 modomp.f90 mkl_stub.f90 mkl_init.f90 oblas_stub.f90 oblas_init.f90 blis_stub.f90 blis_init.f90 modw90.f90 r3mm.f90 r3mtm.f90 r3mmt.f90 r3vo.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 symdmat.f90 z2mm.f90 z2mctm.f90 z2mmct.f90 axangsu2.f90 gradzvcln.f90 gentpmae.f90 zfcmtwr.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 genzfrm.f90 mixadapt.f90 zftrf.f90 sbessel.f90 gengclgq.f90 gencfun.f90 factr.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 zpotcoul.f90 sfacmag.f90 polynm.f90 epsinv.f90 rfinpc.f90 zmctmu.f90 zmctm.f90 writeiad.f90 genapwfr.f90 gengclq.f90 addbfsm.f90 genylmv.f90 olpfv.f90 hmlfv.f90 genexpmt.f90 rfinp.f90 factnm.f90 sphcover.f90 sctovec.f90 genppts.f90 eveqnzg.f90 fderiv.f90 genpmat.f90 genexpmat.f90 writeforces.f90 r3cross.f90 match.f90 genspchi0.f90 genzrho.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 zftzf.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 gengvclns.f90 ssfext.f90 writestate.f90 sdelta_sq.f90 potxcir.f90 potxc.f90 rzfmtinp.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 elnes.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 rzfinp.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 rfirsm.f90 rfmtsm.f90 rfint.f90 gradwf2.f90 closefiles.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 zftwfir.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 zfmtconj.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 xc_c_tb09.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 gcd.f90 lopzflmn.f90 zpotclmt.f90 readfermi.f90 gensdmat.f90 symrfmt.f90 sphcrd.f90 potcoul.f90 genzrm.f90 rminv.f90 rtozfmt.f90 genwfsvp.f90 rdiracint.f90 rotzflm.f90 zfinp.f90 latvstep.f90 gradzfmt.f90 eveqnfv.f90 cbsht.f90 cfsht.f90 wfmtsv_sp.f90 wfirsv.f90 genwfsv_sp.f90 ggamt_4.f90 ggair_4.f90 trzhmm.f90 rvcopy.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_tfvw.f90 k_tfvw_sp.f90 k_tfvw1.f90 k_vwlb.f90 dolpistl.f90 dhmlistl.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 gendcfun.f90 gendvsig.f90 drhomagsh.f90 doccupy.f90 dhmlrad.f90 gendwfsv.f90 dwfmtfv.f90 gengqvec.f90 dmatch.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 writetm3td.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 genvclijjk.f90 getvclijji.f90 getvclijjk.f90 writevclijji.f90 writevclijjk.f90 rdmdexcdc.f90 rdmdtsdn.f90 rdmentropy.f90 rdmeval.f90 genvclijji.f90 atptstep.f90 potkst.f90 tdbackup.f90 writetimes.f90 readtimes.f90 gentimes.f90 readafieldt.f90 genjr.f90 tddft.f90 timestep.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 readdatposc.f90 writedatposc.f90 rhostatic.f90 jtotk.f90 rhosplot.f90 bornecdyn.f90 becforce.f90 > elk.lst ./protex -F -s elk.f90 $(cat elk.lst) > elk.tex pdflatex elk;pdflatex elk;pdflatex elk This is pdfTeX, Version 3.141592653-2.6-1.40.22 (TeX Live 2022/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2021-11-15> patch level 1 L3 programming layer <2022-01-21> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2021/10/04 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/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.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/generic/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/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref-langpatches.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.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 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)) (/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/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>] [2] [3] [4] [5] [6] Overfull \hbox (14.77765pt too wide) in paragraph at lines 328--328 [] \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 687--691 []\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] [27] [28] [29] [30] [31] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1490--1493 []\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 $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [32] [33] [34] [35] Underfull \hbox (badness 10000) in paragraph at lines 1690--1691 Overfull \hbox (26.27502pt too wide) in paragraph at lines 1714--1714 [] \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 1732--1732 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] [36] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1732--1732 [] \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 1733--1734 Underfull \hbox (badness 10000) in paragraph at lines 1757--1758 [37] Underfull \hbox (badness 10000) in paragraph at lines 1785--1786 Underfull \hbox (badness 10000) in paragraph at lines 1807--1808 Underfull \hbox (badness 10000) in paragraph at lines 1830--1831 [38] Underfull \hbox (badness 10000) in paragraph at lines 1855--1856 [39] Underfull \hbox (badness 10000) in paragraph at lines 1892--1893 Underfull \hbox (badness 10000) in paragraph at lines 1923--1924 [40] Underfull \hbox (badness 10000) in paragraph at lines 1944--1945 Underfull \hbox (badness 10000) in paragraph at lines 1967--1968 [41] Underfull \hbox (badness 10000) in paragraph at lines 1990--1991 Underfull \hbox (badness 10000) in paragraph at lines 2019--2020 [42] Overfull \hbox (20.52634pt too wide) in paragraph at lines 2048--2048 [] \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 2049--2050 Underfull \hbox (badness 10000) in paragraph at lines 2082--2083 [43] Underfull \hbox (badness 10000) in paragraph at lines 2119--2120 [44] Underfull \hbox (badness 10000) in paragraph at lines 2142--2143 [45] Underfull \hbox (badness 10000) in paragraph at lines 2206--2207 Underfull \hbox (badness 10000) in paragraph at lines 2226--2227 [46] Underfull \hbox (badness 10000) in paragraph at lines 2247--2248 Underfull \hbox (badness 10000) in paragraph at lines 2273--2274 [47] Underfull \hbox (badness 10000) in paragraph at lines 2302--2303 [48] Underfull \hbox (badness 10000) in paragraph at lines 2330--2331 Underfull \hbox (badness 10000) in paragraph at lines 2355--2356 [49] Underfull \hbox (badness 10000) in paragraph at lines 2377--2378 Underfull \hbox (badness 10000) in paragraph at lines 2400--2401 [50] Overfull \hbox (32.02371pt too wide) in paragraph at lines 2431--2431 [] \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 2432--2433 Underfull \hbox (badness 10000) in paragraph at lines 2464--2465 [51] Overfull \hbox (20.52634pt too wide) in paragraph at lines 2493--2493 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] Underfull \hbox (badness 10000) in paragraph at lines 2494--2495 Underfull \hbox (badness 10000) in paragraph at lines 2516--2517 [52] Underfull \hbox (badness 10000) in paragraph at lines 2538--2539 [53] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2575--2575 [] \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 2576--2577 Underfull \hbox (badness 10000) in paragraph at lines 2604--2605 [54] Underfull \hbox (badness 10000) in paragraph at lines 2636--2637 Underfull \hbox (badness 10000) in paragraph at lines 2665--2666 [55] [56] Underfull \hbox (badness 10000) in paragraph at lines 2742--2743 Underfull \hbox (badness 10000) in paragraph at lines 2764--2765 [57] Underfull \hbox (badness 10000) in paragraph at lines 2788--2789 Underfull \hbox (badness 10000) in paragraph at lines 2813--2814 [58] Underfull \hbox (badness 10000) in paragraph at lines 2834--2835 Underfull \hbox (badness 10000) in paragraph at lines 2859--2860 Underfull \hbox (badness 10000) in paragraph at lines 2881--2882 [59] Underfull \hbox (badness 10000) in paragraph at lines 2901--2902 [60] Underfull \hbox (badness 10000) in paragraph at lines 2930--2931 Underfull \hbox (badness 10000) in paragraph at lines 2957--2958 [61] Underfull \hbox (badness 10000) in paragraph at lines 2988--2989 Underfull \hbox (badness 10000) in paragraph at lines 3022--3023 [62] Underfull \hbox (badness 10000) in paragraph at lines 3045--3046 Underfull \hbox (badness 10000) in paragraph at lines 3065--3066 [63] Overfull \hbox (32.02371pt too wide) in paragraph at lines 3101--3101 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & Underfull \hbox (badness 10000) in paragraph at lines 3114--3115 [64] Underfull \hbox (badness 10000) in paragraph at lines 3135--3136 Underfull \hbox (badness 10000) in paragraph at lines 3159--3160 [65] Underfull \hbox (badness 10000) in paragraph at lines 3184--3185 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3209--3209 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3209--3209 [] \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 3210--3211 [66] Underfull \hbox (badness 10000) in paragraph at lines 3229--3230 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3262--3262 [] \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 3262--3262 [] \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 3263--3264 [67] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3289--3289 [] \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 3315--3315 [] \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 3315--3315 [] \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 3315--3315 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3315--3315 [] \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 3316--3317 [68] Underfull \hbox (badness 10000) in paragraph at lines 3354--3355 [69] Underfull \hbox (badness 10000) in paragraph at lines 3385--3386 Underfull \hbox (badness 10000) in paragraph at lines 3407--3408 [70] Underfull \hbox (badness 10000) in paragraph at lines 3429--3430 Underfull \hbox (badness 10000) in paragraph at lines 3449--3450 [71] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3482--3482 [] \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 3482--3482 [] \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 3483--3484 [72] Underfull \hbox (badness 10000) in paragraph at lines 3533--3534 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3552--3552 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3553--3554 [73] Underfull \hbox (badness 10000) in paragraph at lines 3577--3578 Underfull \hbox (badness 10000) in paragraph at lines 3598--3599 [74] Underfull \hbox (badness 10000) in paragraph at lines 3621--3622 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3640--3640 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & Overfull \hbox (20.52634pt too wide) in paragraph at lines 3661--3661 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis (in,logical) Overfull \hbox (3.28027pt too wide) in paragraph at lines 3661--3661 [] \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 3661--3661 [] \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 3661--3661 [] \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 3661--3661 [] \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 3662--3663 [75] Underfull \hbox (badness 10000) in paragraph at lines 3685--3686 Underfull \hbox (badness 10000) in paragraph at lines 3706--3707 [76] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3742--3742 [] \OT1/cmtt/m/n/10.95 tsh : .true. if the muffin-tin density is to be i n spherical harmonics Overfull \hbox (20.52634pt too wide) in paragraph at lines 3742--3742 [] \OT1/cmtt/m/n/10.95 tspc : .true. if the density should be contracted over spin (in,logical)[] Underfull \hbox (badness 10000) in paragraph at lines 3743--3744 [77] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3771--3771 [] \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 3771--3771 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3772--3773 Underfull \hbox (badness 10000) in paragraph at lines 3796--3797 [78] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3816--3816 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3817--3818 Underfull \hbox (badness 10000) in paragraph at lines 3836--3837 Underfull \hbox (badness 10000) in paragraph at lines 3854--3855 [79] Underfull \hbox (badness 10000) in paragraph at lines 3872--3873 Underfull \hbox (badness 10000) in paragraph at lines 3899--3900 [80] Underfull \hbox (badness 10000) in paragraph at lines 3925--3926 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3947--3947 [] \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 3949--3950 [81] Underfull \hbox (badness 10000) in paragraph at lines 3968--3969 Underfull \hbox (badness 10000) in paragraph at lines 3986--3987 Underfull \hbox (badness 10000) in paragraph at lines 4004--4005 [82] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4020--4020 [] \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 4034--4035 Overfull \hbox (14.77765pt too wide) in paragraph at lines 4059--4059 [] \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 4061--4062 [83] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4113--4113 [] \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 4115--4116 [84] Underfull \hbox (badness 10000) in paragraph at lines 4138--4139 Overfull \hbox (3.28027pt too wide) in paragraph at lines 4168--4168 [] \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 4169--4170 [85] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4199--4199 [] \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 4200--4201 [86] Underfull \hbox (badness 10000) in paragraph at lines 4244--4245 Underfull \hbox (badness 10000) in paragraph at lines 4268--4269 [87] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4295--4295 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4296--4297 [88] Underfull \hbox (badness 10000) in paragraph at lines 4319--4320 Underfull \hbox (badness 10000) in paragraph at lines 4343--4344 [89] Underfull \hbox (badness 10000) in paragraph at lines 4374--4375 Underfull \hbox (badness 10000) in paragraph at lines 4394--4395 [90] Underfull \hbox (badness 10000) in paragraph at lines 4421--4422 Underfull \hbox (badness 10000) in paragraph at lines 4446--4447 [91] Underfull \hbox (badness 10000) in paragraph at lines 4469--4470 Underfull \hbox (badness 10000) in paragraph at lines 4492--4493 [92] Underfull \hbox (badness 10000) in paragraph at lines 4523--4524 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4559--4559 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,c_tb09,tempa,rho,rhoup,r hodn,g2rho,g2up,g2dn, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4559--4559 [] \OT1/cmtt/m/n/10.95 grho2,gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup, vxdn,vcup,vcdn,dxdgr2, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4559--4559 [] \OT1/cmtt/m/n/10.95 dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r ,dxdg2u,dxdg2d,dcdg2r, &[] [93] Underfull \hbox (badness 10000) in paragraph at lines 4606--4607 [94] Overfull \hbox (6.55638pt too wide) in paragraph at lines 4609--4613 \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 4632--4633 Underfull \hbox (badness 10000) in paragraph at lines 4656--4657 [95] Underfull \hbox (badness 10000) in paragraph at lines 4680--4681 [96] Underfull \hbox (badness 10000) in paragraph at lines 4717--4718 [97] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4765--4765 [] \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 4766--4767 Underfull \hbox (badness 10000) in paragraph at lines 4796--4797 [98] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4821--4821 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,c_tb09,tempa,rho,rhoup,rhodn,g rho,gup,gdn,g2rho, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4821--4821 [] \OT1/cmtt/m/n/10.95 g2up,g2dn,g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tau up,taudn,ex,ec,vx,vc, &[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4821--4821 [] \OT1/cmtt/m/n/10.95 vxup,vxdn,vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2, dcdgu2,dcdgd2,dcdgud, &[] [99] Underfull \hbox (badness 10000) in paragraph at lines 4873--4874 [100] Underfull \hbox (badness 10000) in paragraph at lines 4907--4908 Underfull \hbox (badness 10000) in paragraph at lines 4931--4932 [101] Underfull \hbox (badness 10000) in paragraph at lines 4952--4953 Overfull \hbox (32.02371pt too wide) in paragraph at lines 4964--4964 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] Underfull \hbox (badness 10000) in paragraph at lines 4978--4979 [102] Underfull \hbox (badness 10000) in paragraph at lines 4999--5000 Underfull \hbox (badness 10000) in paragraph at lines 5021--5022 [103] Underfull \hbox (badness 10000) in paragraph at lines 5045--5046 Underfull \hbox (badness 10000) in paragraph at lines 5070--5071 [104] Underfull \hbox (badness 10000) in paragraph at lines 5092--5093 Underfull \hbox (badness 10000) in paragraph at lines 5124--5125 [105] Underfull \hbox (badness 10000) in paragraph at lines 5150--5151 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5175--5175 [] \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 5176--5177 [106] Underfull \hbox (badness 10000) in paragraph at lines 5200--5201 Overfull \hbox (3.28027pt too wide) in paragraph at lines 5227--5227 [] \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 5228--5229 [107] Underfull \hbox (badness 10000) in paragraph at lines 5257--5258 Underfull \hbox (badness 10000) in paragraph at lines 5287--5288 [108] Underfull \hbox (badness 10000) in paragraph at lines 5309--5310 Underfull \hbox (badness 10000) in paragraph at lines 5332--5333 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5335--5338 []\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- [109] Underfull \hbox (badness 10000) in paragraph at lines 5356--5357 Underfull \hbox (badness 10000) in paragraph at lines 5380--5381 [110] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5398--5398 [] \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 5401--5402 Underfull \hbox (badness 10000) in paragraph at lines 5426--5427 [111] Underfull \hbox (badness 10000) in paragraph at lines 5445--5446 Underfull \hbox (badness 10000) in paragraph at lines 5466--5467 Underfull \hbox (badness 10000) in paragraph at lines 5485--5486 [112] Underfull \hbox (badness 10000) in paragraph at lines 5505--5506 Underfull \hbox (badness 10000) in paragraph at lines 5525--5526 [113] Underfull \hbox (badness 10000) in paragraph at lines 5545--5546 Underfull \hbox (badness 10000) in paragraph at lines 5565--5566 Underfull \hbox (badness 10000) in paragraph at lines 5585--5586 [114] Underfull \hbox (badness 10000) in paragraph at lines 5603--5604 [115] Underfull \hbox (badness 10000) in paragraph at lines 5637--5638 Underfull \hbox (badness 10000) in paragraph at lines 5672--5673 [116] Underfull \hbox (badness 10000) in paragraph at lines 5707--5708 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5710--5712 []\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 5729--5730 [117] Underfull \hbox (badness 10000) in paragraph at lines 5750--5751 Underfull \hbox (badness 10000) in paragraph at lines 5771--5772 [118] Underfull \hbox (badness 10000) in paragraph at lines 5792--5793 Underfull \hbox (badness 10000) in paragraph at lines 5813--5814 [119] Underfull \hbox (badness 10000) in paragraph at lines 5834--5835 Underfull \hbox (badness 10000) in paragraph at lines 5854--5855 [120] Underfull \hbox (badness 10000) in paragraph at lines 5873--5874 Underfull \hbox (badness 10000) in paragraph at lines 5894--5895 Underfull \hbox (badness 10000) in paragraph at lines 5916--5917 [121] Underfull \hbox (badness 10000) in paragraph at lines 5936--5937 Underfull \hbox (badness 10000) in paragraph at lines 5957--5958 [122] Underfull \hbox (badness 10000) in paragraph at lines 5978--5979 Underfull \hbox (badness 10000) in paragraph at lines 5999--6000 [123] Underfull \hbox (badness 10000) in paragraph at lines 6026--6027 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6029--6031 []\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 6047--6048 Underfull \hbox (badness 10000) in paragraph at lines 6065--6066 [124] Underfull \hbox (badness 10000) in paragraph at lines 6098--6099 [125] Underfull \hbox (badness 10000) in paragraph at lines 6118--6119 Underfull \hbox (badness 10000) in paragraph at lines 6140--6141 [126] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6172--6172 [] \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 6172--6172 [] \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 6172--6172 [] \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 6173--6174 Underfull \hbox (badness 10000) in paragraph at lines 6202--6203 [127] Underfull \hbox (badness 10000) in paragraph at lines 6225--6226 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6249--6249 [] \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 6250--6251 [128] Underfull \hbox (badness 10000) in paragraph at lines 6274--6275 Underfull \hbox (badness 10000) in paragraph at lines 6296--6297 [129] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6326--6326 [] \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 6326--6326 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6327--6328 [130] Underfull \hbox (badness 10000) in paragraph at lines 6358--6359 Underfull \hbox (badness 10000) in paragraph at lines 6377--6378 Underfull \hbox (badness 10000) in paragraph at lines 6400--6401 [131] Underfull \hbox (badness 10000) in paragraph at lines 6423--6424 Underfull \hbox (badness 10000) in paragraph at lines 6458--6459 [132] Underfull \hbox (badness 10000) in paragraph at lines 6510--6511 [133] Underfull \hbox (badness 10000) in paragraph at lines 6537--6538 [134] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6584--6584 [] \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 6585--6586 Underfull \hbox (badness 10000) in paragraph at lines 6619--6620 [135] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6658--6658 [] \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 6659--6660 [136] Underfull \hbox (badness 10000) in paragraph at lines 6688--6689 Underfull \hbox (badness 10000) in paragraph at lines 6710--6711 [137] Underfull \hbox (badness 10000) in paragraph at lines 6740--6741 [138] Underfull \hbox (badness 10000) in paragraph at lines 6772--6773 [139] Underfull \hbox (badness 10000) in paragraph at lines 6800--6801 Underfull \hbox (badness 10000) in paragraph at lines 6835--6836 [140] Underfull \hbox (badness 10000) in paragraph at lines 6854--6855 Underfull \hbox (badness 10000) in paragraph at lines 6874--6875 [141] Underfull \hbox (badness 10000) in paragraph at lines 6901--6902 Underfull \hbox (badness 10000) in paragraph at lines 6924--6925 [142] Underfull \hbox (badness 10000) in paragraph at lines 6950--6951 Underfull \hbox (badness 10000) in paragraph at lines 6978--6979 [143] Underfull \hbox (badness 10000) in paragraph at lines 7006--7007 Underfull \hbox (badness 10000) in paragraph at lines 7028--7029 [144] Underfull \hbox (badness 10000) in paragraph at lines 7056--7057 Underfull \hbox (badness 10000) in paragraph at lines 7079--7080 [145] Underfull \hbox (badness 10000) in paragraph at lines 7103--7104 Underfull \hbox (badness 10000) in paragraph at lines 7124--7125 [146] Underfull \hbox (badness 10000) in paragraph at lines 7144--7145 Underfull \hbox (badness 10000) in paragraph at lines 7173--7174 [147] Underfull \hbox (badness 10000) in paragraph at lines 7196--7197 [148] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7234--7234 [] \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 7234--7234 [] \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 7235--7236 Underfull \hbox (badness 10000) in paragraph at lines 7264--7265 [149] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7283--7283 [] \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 7299--7299 [] \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 7299--7299 [] \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 7299--7299 [] \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 7300--7301 [150] Underfull \hbox (badness 10000) in paragraph at lines 7337--7338 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7356--7356 [] \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 7357--7358 [151] Underfull \hbox (badness 10000) in paragraph at lines 7376--7377 Underfull \hbox (badness 10000) in paragraph at lines 7399--7400 [152] Underfull \hbox (badness 10000) in paragraph at lines 7441--7442 [153] Underfull \hbox (badness 10000) in paragraph at lines 7493--7494 [154] Underfull \hbox (badness 10000) in paragraph at lines 7513--7514 Underfull \hbox (badness 10000) in paragraph at lines 7536--7537 Underfull \hbox (badness 10000) in paragraph at lines 7555--7556 [155] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7589--7589 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7590--7591 [156] Underfull \hbox (badness 10000) in paragraph at lines 7626--7627 Underfull \hbox (badness 10000) in paragraph at lines 7656--7657 [157] Underfull \hbox (badness 10000) in paragraph at lines 7678--7679 Underfull \hbox (badness 10000) in paragraph at lines 7704--7705 [158] Underfull \hbox (badness 10000) in paragraph at lines 7723--7724 Underfull \hbox (badness 10000) in paragraph at lines 7741--7742 [159] Underfull \hbox (badness 10000) in paragraph at lines 7763--7764 Underfull \hbox (badness 10000) in paragraph at lines 7783--7784 [160] Underfull \hbox (badness 10000) in paragraph at lines 7806--7807 Underfull \hbox (badness 10000) in paragraph at lines 7826--7827 Underfull \hbox (badness 10000) in paragraph at lines 7845--7846 [161] Overfull \hbox (16.14984pt too wide) in paragraph at lines 7848--7850 []\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 7865--7866 Underfull \hbox (badness 10000) in paragraph at lines 7885--7886 [162] Underfull \hbox (badness 10000) in paragraph at lines 7905--7906 Underfull \hbox (badness 10000) in paragraph at lines 7928--7929 [163] Underfull \hbox (badness 10000) in paragraph at lines 7952--7953 Underfull \hbox (badness 10000) in paragraph at lines 7973--7974 [164] Underfull \hbox (badness 10000) in paragraph at lines 8001--8002 Underfull \hbox (badness 10000) in paragraph at lines 8027--8028 [165] Underfull \hbox (badness 10000) in paragraph at lines 8048--8049 Underfull \hbox (badness 10000) in paragraph at lines 8068--8069 Underfull \hbox (badness 10000) in paragraph at lines 8090--8091 [166] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8110--8110 [] \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 8131--8132 [167] Underfull \hbox (badness 10000) in paragraph at lines 8163--8164 Underfull \hbox (badness 10000) in paragraph at lines 8189--8190 [168] Underfull \hbox (badness 10000) in paragraph at lines 8218--8219 [169] Underfull \hbox (badness 10000) in paragraph at lines 8242--8243 Underfull \hbox (badness 10000) in paragraph at lines 8265--8266 [170] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8293--8293 [] \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 8294--8295 Underfull \hbox (badness 10000) in paragraph at lines 8323--8324 [171] Underfull \hbox (badness 10000) in paragraph at lines 8344--8345 Underfull \hbox (badness 10000) in paragraph at lines 8365--8366 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8389--8389 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] [172] Underfull \hbox (badness 10000) in paragraph at lines 8390--8391 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8418--8418 [] \OT1/cmtt/m/n/10.95 zfmt1 : first complex function in spherical harmonic s/coordinates for all Overfull \hbox (20.52634pt too wide) in paragraph at lines 8418--8418 [] \OT1/cmtt/m/n/10.95 zfmt2 : second complex function in spherical harmoni cs/coordinates for all[] Underfull \hbox (badness 10000) in paragraph at lines 8419--8420 [173] Underfull \hbox (badness 10000) in paragraph at lines 8447--8448 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8475--8475 [] \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 8476--8477 [174] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8507--8507 [] \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 8508--8509 [175] Underfull \hbox (badness 10000) in paragraph at lines 8535--8536 Underfull \hbox (badness 10000) in paragraph at lines 8564--8565 [176] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8596--8596 [] \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 8597--8598 [177] Overfull \hbox (20.52634pt too wide) in paragraph at lines 8620--8620 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,npi,ld1,rl,ngdg,igf,ngp,gp c,gclgp,ld2,jlgprmt, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8645--8645 [] \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 8645--8645 [] \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 8645--8645 [] \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 8645--8645 [] \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 8646--8647 [178] [179] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8723--8723 [] \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 8724--8725 [180] (./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 2022/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 (180 pages, 664366 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.141592653-2.6-1.40.22 (TeX Live 2022/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2021-11-15> patch level 1 L3 programming layer <2022-01-21> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2021/10/04 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/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.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)) (/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)) (./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 328--328 [] \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 687--691 []\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] [35] [36] [37] [38] [39] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1490--1493 []\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 $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [40] [41] [42] [43] Underfull \hbox (badness 10000) in paragraph at lines 1690--1691 Overfull \hbox (26.27502pt too wide) in paragraph at lines 1714--1714 [] \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 1732--1732 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] [44] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1732--1732 [] \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 1733--1734 Underfull \hbox (badness 10000) in paragraph at lines 1757--1758 [45] Underfull \hbox (badness 10000) in paragraph at lines 1785--1786 Underfull \hbox (badness 10000) in paragraph at lines 1807--1808 Underfull \hbox (badness 10000) in paragraph at lines 1830--1831 [46] Underfull \hbox (badness 10000) in paragraph at lines 1855--1856 [47] Underfull \hbox (badness 10000) in paragraph at lines 1892--1893 Underfull \hbox (badness 10000) in paragraph at lines 1923--1924 [48] Underfull \hbox (badness 10000) in paragraph at lines 1944--1945 Underfull \hbox (badness 10000) in paragraph at lines 1967--1968 [49] Underfull \hbox (badness 10000) in paragraph at lines 1990--1991 Underfull \hbox (badness 10000) in paragraph at lines 2019--2020 [50] Overfull \hbox (20.52634pt too wide) in paragraph at lines 2048--2048 [] \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 2049--2050 Underfull \hbox (badness 10000) in paragraph at lines 2082--2083 [51] Underfull \hbox (badness 10000) in paragraph at lines 2119--2120 [52] Underfull \hbox (badness 10000) in paragraph at lines 2142--2143 [53] Underfull \hbox (badness 10000) in paragraph at lines 2206--2207 Underfull \hbox (badness 10000) in paragraph at lines 2226--2227 [54] Underfull \hbox (badness 10000) in paragraph at lines 2247--2248 Underfull \hbox (badness 10000) in paragraph at lines 2273--2274 [55] Underfull \hbox (badness 10000) in paragraph at lines 2302--2303 [56] Underfull \hbox (badness 10000) in paragraph at lines 2330--2331 Underfull \hbox (badness 10000) in paragraph at lines 2355--2356 [57] Underfull \hbox (badness 10000) in paragraph at lines 2377--2378 Underfull \hbox (badness 10000) in paragraph at lines 2400--2401 [58] Overfull \hbox (32.02371pt too wide) in paragraph at lines 2431--2431 [] \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 2432--2433 Underfull \hbox (badness 10000) in paragraph at lines 2464--2465 [59] Overfull \hbox (20.52634pt too wide) in paragraph at lines 2493--2493 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] Underfull \hbox (badness 10000) in paragraph at lines 2494--2495 Underfull \hbox (badness 10000) in paragraph at lines 2516--2517 [60] Underfull \hbox (badness 10000) in paragraph at lines 2538--2539 [61] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2575--2575 [] \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 2576--2577 Underfull \hbox (badness 10000) in paragraph at lines 2604--2605 [62] Underfull \hbox (badness 10000) in paragraph at lines 2636--2637 Underfull \hbox (badness 10000) in paragraph at lines 2665--2666 [63] [64] Underfull \hbox (badness 10000) in paragraph at lines 2742--2743 Underfull \hbox (badness 10000) in paragraph at lines 2764--2765 [65] Underfull \hbox (badness 10000) in paragraph at lines 2788--2789 Underfull \hbox (badness 10000) in paragraph at lines 2813--2814 [66] Underfull \hbox (badness 10000) in paragraph at lines 2834--2835 Underfull \hbox (badness 10000) in paragraph at lines 2859--2860 Underfull \hbox (badness 10000) in paragraph at lines 2881--2882 [67] Underfull \hbox (badness 10000) in paragraph at lines 2901--2902 [68] Underfull \hbox (badness 10000) in paragraph at lines 2930--2931 Underfull \hbox (badness 10000) in paragraph at lines 2957--2958 [69] Underfull \hbox (badness 10000) in paragraph at lines 2988--2989 Underfull \hbox (badness 10000) in paragraph at lines 3022--3023 [70] Underfull \hbox (badness 10000) in paragraph at lines 3045--3046 Underfull \hbox (badness 10000) in paragraph at lines 3065--3066 [71] Overfull \hbox (32.02371pt too wide) in paragraph at lines 3101--3101 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & Underfull \hbox (badness 10000) in paragraph at lines 3114--3115 [72] Underfull \hbox (badness 10000) in paragraph at lines 3135--3136 Underfull \hbox (badness 10000) in paragraph at lines 3159--3160 [73] Underfull \hbox (badness 10000) in paragraph at lines 3184--3185 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3209--3209 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3209--3209 [] \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 3210--3211 [74] Underfull \hbox (badness 10000) in paragraph at lines 3229--3230 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3262--3262 [] \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 3262--3262 [] \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 3263--3264 [75] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3289--3289 [] \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 3315--3315 [] \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 3315--3315 [] \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 3315--3315 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3315--3315 [] \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 3316--3317 [76] Underfull \hbox (badness 10000) in paragraph at lines 3354--3355 [77] Underfull \hbox (badness 10000) in paragraph at lines 3385--3386 Underfull \hbox (badness 10000) in paragraph at lines 3407--3408 [78] Underfull \hbox (badness 10000) in paragraph at lines 3429--3430 Underfull \hbox (badness 10000) in paragraph at lines 3449--3450 [79] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3482--3482 [] \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 3482--3482 [] \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 3483--3484 [80] Underfull \hbox (badness 10000) in paragraph at lines 3533--3534 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3552--3552 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3553--3554 [81] Underfull \hbox (badness 10000) in paragraph at lines 3577--3578 Underfull \hbox (badness 10000) in paragraph at lines 3598--3599 [82] Underfull \hbox (badness 10000) in paragraph at lines 3621--3622 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3640--3640 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & Overfull \hbox (20.52634pt too wide) in paragraph at lines 3661--3661 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis (in,logical) Overfull \hbox (3.28027pt too wide) in paragraph at lines 3661--3661 [] \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 3661--3661 [] \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 3661--3661 [] \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 3661--3661 [] \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 3662--3663 [83] Underfull \hbox (badness 10000) in paragraph at lines 3685--3686 Underfull \hbox (badness 10000) in paragraph at lines 3706--3707 [84] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3742--3742 [] \OT1/cmtt/m/n/10.95 tsh : .true. if the muffin-tin density is to be i n spherical harmonics Overfull \hbox (20.52634pt too wide) in paragraph at lines 3742--3742 [] \OT1/cmtt/m/n/10.95 tspc : .true. if the density should be contracted over spin (in,logical)[] Underfull \hbox (badness 10000) in paragraph at lines 3743--3744 [85] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3771--3771 [] \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 3771--3771 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3772--3773 Underfull \hbox (badness 10000) in paragraph at lines 3796--3797 [86] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3816--3816 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3817--3818 Underfull \hbox (badness 10000) in paragraph at lines 3836--3837 Underfull \hbox (badness 10000) in paragraph at lines 3854--3855 [87] Underfull \hbox (badness 10000) in paragraph at lines 3872--3873 Underfull \hbox (badness 10000) in paragraph at lines 3899--3900 [88] Underfull \hbox (badness 10000) in paragraph at lines 3925--3926 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3947--3947 [] \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 3949--3950 [89] Underfull \hbox (badness 10000) in paragraph at lines 3968--3969 Underfull \hbox (badness 10000) in paragraph at lines 3986--3987 Underfull \hbox (badness 10000) in paragraph at lines 4004--4005 [90] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4020--4020 [] \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 4034--4035 Overfull \hbox (14.77765pt too wide) in paragraph at lines 4059--4059 [] \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 4061--4062 [91] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4113--4113 [] \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 4115--4116 [92] Underfull \hbox (badness 10000) in paragraph at lines 4138--4139 Overfull \hbox (3.28027pt too wide) in paragraph at lines 4168--4168 [] \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 4169--4170 [93] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4199--4199 [] \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 4200--4201 [94] Underfull \hbox (badness 10000) in paragraph at lines 4244--4245 Underfull \hbox (badness 10000) in paragraph at lines 4268--4269 [95] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4295--4295 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4296--4297 [96] Underfull \hbox (badness 10000) in paragraph at lines 4319--4320 Underfull \hbox (badness 10000) in paragraph at lines 4343--4344 [97] Underfull \hbox (badness 10000) in paragraph at lines 4374--4375 Underfull \hbox (badness 10000) in paragraph at lines 4394--4395 [98] Underfull \hbox (badness 10000) in paragraph at lines 4421--4422 Underfull \hbox (badness 10000) in paragraph at lines 4446--4447 [99] Underfull \hbox (badness 10000) in paragraph at lines 4469--4470 Underfull \hbox (badness 10000) in paragraph at lines 4492--4493 [100] Underfull \hbox (badness 10000) in paragraph at lines 4523--4524 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4559--4559 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,c_tb09,tempa,rho,rhoup,r hodn,g2rho,g2up,g2dn, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4559--4559 [] \OT1/cmtt/m/n/10.95 grho2,gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup, vxdn,vcup,vcdn,dxdgr2, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4559--4559 [] \OT1/cmtt/m/n/10.95 dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r ,dxdg2u,dxdg2d,dcdg2r, &[] [101] Underfull \hbox (badness 10000) in paragraph at lines 4606--4607 [102] Overfull \hbox (6.55638pt too wide) in paragraph at lines 4609--4613 \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 4632--4633 Underfull \hbox (badness 10000) in paragraph at lines 4656--4657 [103] Underfull \hbox (badness 10000) in paragraph at lines 4680--4681 [104] Underfull \hbox (badness 10000) in paragraph at lines 4717--4718 [105] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4765--4765 [] \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 4766--4767 Underfull \hbox (badness 10000) in paragraph at lines 4796--4797 [106] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4821--4821 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,c_tb09,tempa,rho,rhoup,rhodn,g rho,gup,gdn,g2rho, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4821--4821 [] \OT1/cmtt/m/n/10.95 g2up,g2dn,g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tau up,taudn,ex,ec,vx,vc, &[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4821--4821 [] \OT1/cmtt/m/n/10.95 vxup,vxdn,vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2, dcdgu2,dcdgd2,dcdgud, &[] [107] Underfull \hbox (badness 10000) in paragraph at lines 4873--4874 [108] Underfull \hbox (badness 10000) in paragraph at lines 4907--4908 Underfull \hbox (badness 10000) in paragraph at lines 4931--4932 [109] Underfull \hbox (badness 10000) in paragraph at lines 4952--4953 Overfull \hbox (32.02371pt too wide) in paragraph at lines 4964--4964 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] Underfull \hbox (badness 10000) in paragraph at lines 4978--4979 [110] Underfull \hbox (badness 10000) in paragraph at lines 4999--5000 Underfull \hbox (badness 10000) in paragraph at lines 5021--5022 [111] Underfull \hbox (badness 10000) in paragraph at lines 5045--5046 Underfull \hbox (badness 10000) in paragraph at lines 5070--5071 [112] Underfull \hbox (badness 10000) in paragraph at lines 5092--5093 Underfull \hbox (badness 10000) in paragraph at lines 5124--5125 [113] Underfull \hbox (badness 10000) in paragraph at lines 5150--5151 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5175--5175 [] \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 5176--5177 [114] Underfull \hbox (badness 10000) in paragraph at lines 5200--5201 Overfull \hbox (3.28027pt too wide) in paragraph at lines 5227--5227 [] \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 5228--5229 [115] Underfull \hbox (badness 10000) in paragraph at lines 5257--5258 Underfull \hbox (badness 10000) in paragraph at lines 5287--5288 [116] Underfull \hbox (badness 10000) in paragraph at lines 5309--5310 Underfull \hbox (badness 10000) in paragraph at lines 5332--5333 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5335--5338 []\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- [117] Underfull \hbox (badness 10000) in paragraph at lines 5356--5357 Underfull \hbox (badness 10000) in paragraph at lines 5380--5381 [118] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5398--5398 [] \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 5401--5402 Underfull \hbox (badness 10000) in paragraph at lines 5426--5427 [119] Underfull \hbox (badness 10000) in paragraph at lines 5445--5446 Underfull \hbox (badness 10000) in paragraph at lines 5466--5467 Underfull \hbox (badness 10000) in paragraph at lines 5485--5486 [120] Underfull \hbox (badness 10000) in paragraph at lines 5505--5506 Underfull \hbox (badness 10000) in paragraph at lines 5525--5526 [121] Underfull \hbox (badness 10000) in paragraph at lines 5545--5546 Underfull \hbox (badness 10000) in paragraph at lines 5565--5566 Underfull \hbox (badness 10000) in paragraph at lines 5585--5586 [122] Underfull \hbox (badness 10000) in paragraph at lines 5603--5604 [123] Underfull \hbox (badness 10000) in paragraph at lines 5637--5638 Underfull \hbox (badness 10000) in paragraph at lines 5672--5673 [124] Underfull \hbox (badness 10000) in paragraph at lines 5707--5708 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5710--5712 []\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 5729--5730 [125] Underfull \hbox (badness 10000) in paragraph at lines 5750--5751 Underfull \hbox (badness 10000) in paragraph at lines 5771--5772 [126] Underfull \hbox (badness 10000) in paragraph at lines 5792--5793 Underfull \hbox (badness 10000) in paragraph at lines 5813--5814 [127] Underfull \hbox (badness 10000) in paragraph at lines 5834--5835 Underfull \hbox (badness 10000) in paragraph at lines 5854--5855 [128] Underfull \hbox (badness 10000) in paragraph at lines 5873--5874 Underfull \hbox (badness 10000) in paragraph at lines 5894--5895 Underfull \hbox (badness 10000) in paragraph at lines 5916--5917 [129] Underfull \hbox (badness 10000) in paragraph at lines 5936--5937 Underfull \hbox (badness 10000) in paragraph at lines 5957--5958 [130] Underfull \hbox (badness 10000) in paragraph at lines 5978--5979 Underfull \hbox (badness 10000) in paragraph at lines 5999--6000 [131] Underfull \hbox (badness 10000) in paragraph at lines 6026--6027 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6029--6031 []\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 6047--6048 Underfull \hbox (badness 10000) in paragraph at lines 6065--6066 [132] Underfull \hbox (badness 10000) in paragraph at lines 6098--6099 [133] Underfull \hbox (badness 10000) in paragraph at lines 6118--6119 Underfull \hbox (badness 10000) in paragraph at lines 6140--6141 [134] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6172--6172 [] \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 6172--6172 [] \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 6172--6172 [] \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 6173--6174 Underfull \hbox (badness 10000) in paragraph at lines 6202--6203 [135] Underfull \hbox (badness 10000) in paragraph at lines 6225--6226 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6249--6249 [] \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 6250--6251 [136] Underfull \hbox (badness 10000) in paragraph at lines 6274--6275 Underfull \hbox (badness 10000) in paragraph at lines 6296--6297 [137] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6326--6326 [] \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 6326--6326 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6327--6328 [138] Underfull \hbox (badness 10000) in paragraph at lines 6358--6359 Underfull \hbox (badness 10000) in paragraph at lines 6377--6378 Underfull \hbox (badness 10000) in paragraph at lines 6400--6401 [139] Underfull \hbox (badness 10000) in paragraph at lines 6423--6424 Underfull \hbox (badness 10000) in paragraph at lines 6458--6459 [140] Underfull \hbox (badness 10000) in paragraph at lines 6510--6511 [141] Underfull \hbox (badness 10000) in paragraph at lines 6537--6538 [142] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6584--6584 [] \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 6585--6586 Underfull \hbox (badness 10000) in paragraph at lines 6619--6620 [143] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6658--6658 [] \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 6659--6660 [144] Underfull \hbox (badness 10000) in paragraph at lines 6688--6689 Underfull \hbox (badness 10000) in paragraph at lines 6710--6711 [145] Underfull \hbox (badness 10000) in paragraph at lines 6740--6741 [146] Underfull \hbox (badness 10000) in paragraph at lines 6772--6773 [147] Underfull \hbox (badness 10000) in paragraph at lines 6800--6801 Underfull \hbox (badness 10000) in paragraph at lines 6835--6836 [148] Underfull \hbox (badness 10000) in paragraph at lines 6854--6855 Underfull \hbox (badness 10000) in paragraph at lines 6874--6875 [149] Underfull \hbox (badness 10000) in paragraph at lines 6901--6902 Underfull \hbox (badness 10000) in paragraph at lines 6924--6925 [150] Underfull \hbox (badness 10000) in paragraph at lines 6950--6951 Underfull \hbox (badness 10000) in paragraph at lines 6978--6979 [151] Underfull \hbox (badness 10000) in paragraph at lines 7006--7007 Underfull \hbox (badness 10000) in paragraph at lines 7028--7029 [152] Underfull \hbox (badness 10000) in paragraph at lines 7056--7057 Underfull \hbox (badness 10000) in paragraph at lines 7079--7080 [153] Underfull \hbox (badness 10000) in paragraph at lines 7103--7104 Underfull \hbox (badness 10000) in paragraph at lines 7124--7125 [154] Underfull \hbox (badness 10000) in paragraph at lines 7144--7145 Underfull \hbox (badness 10000) in paragraph at lines 7173--7174 [155] Underfull \hbox (badness 10000) in paragraph at lines 7196--7197 [156] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7234--7234 [] \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 7234--7234 [] \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 7235--7236 Underfull \hbox (badness 10000) in paragraph at lines 7264--7265 [157] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7283--7283 [] \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 7299--7299 [] \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 7299--7299 [] \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 7299--7299 [] \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 7300--7301 [158] Underfull \hbox (badness 10000) in paragraph at lines 7337--7338 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7356--7356 [] \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 7357--7358 [159] Underfull \hbox (badness 10000) in paragraph at lines 7376--7377 Underfull \hbox (badness 10000) in paragraph at lines 7399--7400 [160] Underfull \hbox (badness 10000) in paragraph at lines 7441--7442 [161] Underfull \hbox (badness 10000) in paragraph at lines 7493--7494 [162] Underfull \hbox (badness 10000) in paragraph at lines 7513--7514 Underfull \hbox (badness 10000) in paragraph at lines 7536--7537 Underfull \hbox (badness 10000) in paragraph at lines 7555--7556 [163] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7589--7589 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7590--7591 [164] Underfull \hbox (badness 10000) in paragraph at lines 7626--7627 Underfull \hbox (badness 10000) in paragraph at lines 7656--7657 [165] Underfull \hbox (badness 10000) in paragraph at lines 7678--7679 Underfull \hbox (badness 10000) in paragraph at lines 7704--7705 [166] Underfull \hbox (badness 10000) in paragraph at lines 7723--7724 Underfull \hbox (badness 10000) in paragraph at lines 7741--7742 [167] Underfull \hbox (badness 10000) in paragraph at lines 7763--7764 Underfull \hbox (badness 10000) in paragraph at lines 7783--7784 [168] Underfull \hbox (badness 10000) in paragraph at lines 7806--7807 Underfull \hbox (badness 10000) in paragraph at lines 7826--7827 Underfull \hbox (badness 10000) in paragraph at lines 7845--7846 [169] Overfull \hbox (16.14984pt too wide) in paragraph at lines 7848--7850 []\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 7865--7866 Underfull \hbox (badness 10000) in paragraph at lines 7885--7886 [170] Underfull \hbox (badness 10000) in paragraph at lines 7905--7906 Underfull \hbox (badness 10000) in paragraph at lines 7928--7929 [171] Underfull \hbox (badness 10000) in paragraph at lines 7952--7953 Underfull \hbox (badness 10000) in paragraph at lines 7973--7974 [172] Underfull \hbox (badness 10000) in paragraph at lines 8001--8002 Underfull \hbox (badness 10000) in paragraph at lines 8027--8028 [173] Underfull \hbox (badness 10000) in paragraph at lines 8048--8049 Underfull \hbox (badness 10000) in paragraph at lines 8068--8069 Underfull \hbox (badness 10000) in paragraph at lines 8090--8091 [174] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8110--8110 [] \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 8131--8132 [175] Underfull \hbox (badness 10000) in paragraph at lines 8163--8164 Underfull \hbox (badness 10000) in paragraph at lines 8189--8190 [176] Underfull \hbox (badness 10000) in paragraph at lines 8218--8219 [177] Underfull \hbox (badness 10000) in paragraph at lines 8242--8243 Underfull \hbox (badness 10000) in paragraph at lines 8265--8266 [178] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8293--8293 [] \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 8294--8295 Underfull \hbox (badness 10000) in paragraph at lines 8323--8324 [179] Underfull \hbox (badness 10000) in paragraph at lines 8344--8345 Underfull \hbox (badness 10000) in paragraph at lines 8365--8366 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8389--8389 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] [180] Underfull \hbox (badness 10000) in paragraph at lines 8390--8391 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8418--8418 [] \OT1/cmtt/m/n/10.95 zfmt1 : first complex function in spherical harmonic s/coordinates for all Overfull \hbox (20.52634pt too wide) in paragraph at lines 8418--8418 [] \OT1/cmtt/m/n/10.95 zfmt2 : second complex function in spherical harmoni cs/coordinates for all[] Underfull \hbox (badness 10000) in paragraph at lines 8419--8420 [181] Underfull \hbox (badness 10000) in paragraph at lines 8447--8448 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8475--8475 [] \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 8476--8477 [182] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8507--8507 [] \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 8508--8509 [183] Underfull \hbox (badness 10000) in paragraph at lines 8535--8536 Underfull \hbox (badness 10000) in paragraph at lines 8564--8565 [184] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8596--8596 [] \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 8597--8598 [185] Overfull \hbox (20.52634pt too wide) in paragraph at lines 8620--8620 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,npi,ld1,rl,ngdg,igf,ngp,gp c,gclgp,ld2,jlgprmt, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8645--8645 [] \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 8645--8645 [] \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 8645--8645 [] \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 8645--8645 [] \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 8646--8647 [186] [187] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8723--8723 [] \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 8724--8725 [188] (./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 (188 pages, 710898 bytes). Transcript written on elk.log. This is pdfTeX, Version 3.141592653-2.6-1.40.22 (TeX Live 2022/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./elk.tex LaTeX2e <2021-11-15> patch level 1 L3 programming layer <2022-01-21> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2021/10/04 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/latex/latexconfig/epstopdf-sys.cfg)) (/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)) (./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 328--328 [] \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 687--691 []\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] [35] [36] [37] [38] [39] Overfull \hbox (13.04211pt too wide) in paragraph at lines 1490--1493 []\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 $\OML/cmm/m/it/10.95 W\OT1/cmr/m/n/10.95 (\OT1/cm r/bx/n/10.95 G\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 G[]\OML/cmm/m/it/10.95 ; \OT1/cmr/bx/n/10.95 q\OML/cmm/m/it/10.95 ; !\OT1/cmr/m/n/10.95 )$ [40] [41] [42] [43] Underfull \hbox (badness 10000) in paragraph at lines 1690--1691 Overfull \hbox (26.27502pt too wide) in paragraph at lines 1714--1714 [] \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 1732--1732 [] \OT1/cmtt/m/n/10.95 eval : eigenvalue without rest-mass energy for eac h state (out,real(nst))[] [44] Overfull \hbox (20.52634pt too wide) in paragraph at lines 1732--1732 [] \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 1733--1734 Underfull \hbox (badness 10000) in paragraph at lines 1757--1758 [45] Underfull \hbox (badness 10000) in paragraph at lines 1785--1786 Underfull \hbox (badness 10000) in paragraph at lines 1807--1808 Underfull \hbox (badness 10000) in paragraph at lines 1830--1831 [46] Underfull \hbox (badness 10000) in paragraph at lines 1855--1856 [47] Underfull \hbox (badness 10000) in paragraph at lines 1892--1893 Underfull \hbox (badness 10000) in paragraph at lines 1923--1924 [48] Underfull \hbox (badness 10000) in paragraph at lines 1944--1945 Underfull \hbox (badness 10000) in paragraph at lines 1967--1968 [49] Underfull \hbox (badness 10000) in paragraph at lines 1990--1991 Underfull \hbox (badness 10000) in paragraph at lines 2019--2020 [50] Overfull \hbox (20.52634pt too wide) in paragraph at lines 2048--2048 [] \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 2049--2050 Underfull \hbox (badness 10000) in paragraph at lines 2082--2083 [51] Underfull \hbox (badness 10000) in paragraph at lines 2119--2120 [52] Underfull \hbox (badness 10000) in paragraph at lines 2142--2143 [53] Underfull \hbox (badness 10000) in paragraph at lines 2206--2207 Underfull \hbox (badness 10000) in paragraph at lines 2226--2227 [54] Underfull \hbox (badness 10000) in paragraph at lines 2247--2248 Underfull \hbox (badness 10000) in paragraph at lines 2273--2274 [55] Underfull \hbox (badness 10000) in paragraph at lines 2302--2303 [56] Underfull \hbox (badness 10000) in paragraph at lines 2330--2331 Underfull \hbox (badness 10000) in paragraph at lines 2355--2356 [57] Underfull \hbox (badness 10000) in paragraph at lines 2377--2378 Underfull \hbox (badness 10000) in paragraph at lines 2400--2401 [58] Overfull \hbox (32.02371pt too wide) in paragraph at lines 2431--2431 [] \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 2432--2433 Underfull \hbox (badness 10000) in paragraph at lines 2464--2465 [59] Overfull \hbox (20.52634pt too wide) in paragraph at lines 2493--2493 [] \OT1/cmtt/m/n/10.95 nspnfv : number of first-variational spin components : 1 normal case, 2 for[] Underfull \hbox (badness 10000) in paragraph at lines 2494--2495 Underfull \hbox (badness 10000) in paragraph at lines 2516--2517 [60] Underfull \hbox (badness 10000) in paragraph at lines 2538--2539 [61] Overfull \hbox (9.02896pt too wide) in paragraph at lines 2575--2575 [] \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 2576--2577 Underfull \hbox (badness 10000) in paragraph at lines 2604--2605 [62] Underfull \hbox (badness 10000) in paragraph at lines 2636--2637 Underfull \hbox (badness 10000) in paragraph at lines 2665--2666 [63] [64] Underfull \hbox (badness 10000) in paragraph at lines 2742--2743 Underfull \hbox (badness 10000) in paragraph at lines 2764--2765 [65] Underfull \hbox (badness 10000) in paragraph at lines 2788--2789 Underfull \hbox (badness 10000) in paragraph at lines 2813--2814 [66] Underfull \hbox (badness 10000) in paragraph at lines 2834--2835 Underfull \hbox (badness 10000) in paragraph at lines 2859--2860 Underfull \hbox (badness 10000) in paragraph at lines 2881--2882 [67] Underfull \hbox (badness 10000) in paragraph at lines 2901--2902 [68] Underfull \hbox (badness 10000) in paragraph at lines 2930--2931 Underfull \hbox (badness 10000) in paragraph at lines 2957--2958 [69] Underfull \hbox (badness 10000) in paragraph at lines 2988--2989 Underfull \hbox (badness 10000) in paragraph at lines 3022--3023 [70] Underfull \hbox (badness 10000) in paragraph at lines 3045--3046 Underfull \hbox (badness 10000) in paragraph at lines 3065--3066 [71] Overfull \hbox (32.02371pt too wide) in paragraph at lines 3101--3101 [] \OT1/cmtt/m/n/10.95 pure subroutine gengkvec(ngv,ivg,vgc,vkl,vkc,gkmax,ngkma x,ngk,igkig,vgkl,vgkc, & Underfull \hbox (badness 10000) in paragraph at lines 3114--3115 [72] Underfull \hbox (badness 10000) in paragraph at lines 3135--3136 Underfull \hbox (badness 10000) in paragraph at lines 3159--3160 [73] Underfull \hbox (badness 10000) in paragraph at lines 3184--3185 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3209--3209 [] \OT1/cmtt/m/n/10.95 first-variational basis; second-variational otherwise (in,logical)[] Overfull \hbox (20.52634pt too wide) in paragraph at lines 3209--3209 [] \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 3210--3211 [74] Underfull \hbox (badness 10000) in paragraph at lines 3229--3230 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3262--3262 [] \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 3262--3262 [] \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 3263--3264 [75] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3289--3289 [] \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 3315--3315 [] \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 3315--3315 [] \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 3315--3315 [] \OT1/cmtt/m/n/10.95 npptnr : number of non-reduced p-points: ngridp(1)* ngridp(2)*ngridp(3)[] Overfull \hbox (9.02896pt too wide) in paragraph at lines 3315--3315 [] \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 3316--3317 [76] Underfull \hbox (badness 10000) in paragraph at lines 3354--3355 [77] Underfull \hbox (badness 10000) in paragraph at lines 3385--3386 Underfull \hbox (badness 10000) in paragraph at lines 3407--3408 [78] Underfull \hbox (badness 10000) in paragraph at lines 3429--3430 Underfull \hbox (badness 10000) in paragraph at lines 3449--3450 [79] Overfull \hbox (26.27502pt too wide) in paragraph at lines 3482--3482 [] \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 3482--3482 [] \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 3483--3484 [80] Underfull \hbox (badness 10000) in paragraph at lines 3533--3534 Overfull \hbox (3.28027pt too wide) in paragraph at lines 3552--3552 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3553--3554 [81] Underfull \hbox (badness 10000) in paragraph at lines 3577--3578 Underfull \hbox (badness 10000) in paragraph at lines 3598--3599 [82] Underfull \hbox (badness 10000) in paragraph at lines 3621--3622 Overfull \hbox (14.77765pt too wide) in paragraph at lines 3640--3640 [] \OT1/cmtt/m/n/10.95 subroutine genwfsv(tsh,tgp,nst,idx,ngdg,igf,ngp,igpig,ap walm,evecfv,evecsv, & Overfull \hbox (20.52634pt too wide) in paragraph at lines 3661--3661 [] \OT1/cmtt/m/n/10.95 tsh : .true. if wfmt should be in spherical harmo nic basis (in,logical) Overfull \hbox (3.28027pt too wide) in paragraph at lines 3661--3661 [] \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 3661--3661 [] \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 3661--3661 [] \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 3661--3661 [] \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 3662--3663 [83] Underfull \hbox (badness 10000) in paragraph at lines 3685--3686 Underfull \hbox (badness 10000) in paragraph at lines 3706--3707 [84] Overfull \hbox (14.77765pt too wide) in paragraph at lines 3742--3742 [] \OT1/cmtt/m/n/10.95 tsh : .true. if the muffin-tin density is to be i n spherical harmonics Overfull \hbox (20.52634pt too wide) in paragraph at lines 3742--3742 [] \OT1/cmtt/m/n/10.95 tspc : .true. if the density should be contracted over spin (in,logical)[] Underfull \hbox (badness 10000) in paragraph at lines 3743--3744 [85] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3771--3771 [] \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 3771--3771 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (out,complex (nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 3772--3773 Underfull \hbox (badness 10000) in paragraph at lines 3796--3797 [86] Overfull \hbox (3.28027pt too wide) in paragraph at lines 3816--3816 [] \OT1/cmtt/m/n/10.95 vclijjk : Coulomb matrix elements (out,complex(nstsv ,nstsv,nstsv,nkpt))[] Underfull \hbox (badness 10000) in paragraph at lines 3817--3818 Underfull \hbox (badness 10000) in paragraph at lines 3836--3837 Underfull \hbox (badness 10000) in paragraph at lines 3854--3855 [87] Underfull \hbox (badness 10000) in paragraph at lines 3872--3873 Underfull \hbox (badness 10000) in paragraph at lines 3899--3900 [88] Underfull \hbox (badness 10000) in paragraph at lines 3925--3926 Overfull \hbox (26.27502pt too wide) in paragraph at lines 3947--3947 [] \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 3949--3950 [89] Underfull \hbox (badness 10000) in paragraph at lines 3968--3969 Underfull \hbox (badness 10000) in paragraph at lines 3986--3987 Underfull \hbox (badness 10000) in paragraph at lines 4004--4005 [90] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4020--4020 [] \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 4034--4035 Overfull \hbox (14.77765pt too wide) in paragraph at lines 4059--4059 [] \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 4061--4062 [91] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4113--4113 [] \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 4115--4116 [92] Underfull \hbox (badness 10000) in paragraph at lines 4138--4139 Overfull \hbox (3.28027pt too wide) in paragraph at lines 4168--4168 [] \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 4169--4170 [93] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4199--4199 [] \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 4200--4201 [94] Underfull \hbox (badness 10000) in paragraph at lines 4244--4245 Underfull \hbox (badness 10000) in paragraph at lines 4268--4269 [95] Overfull \hbox (20.52634pt too wide) in paragraph at lines 4295--4295 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 4296--4297 [96] Underfull \hbox (badness 10000) in paragraph at lines 4319--4320 Underfull \hbox (badness 10000) in paragraph at lines 4343--4344 [97] Underfull \hbox (badness 10000) in paragraph at lines 4374--4375 Underfull \hbox (badness 10000) in paragraph at lines 4394--4395 [98] Underfull \hbox (badness 10000) in paragraph at lines 4421--4422 Underfull \hbox (badness 10000) in paragraph at lines 4446--4447 [99] Underfull \hbox (badness 10000) in paragraph at lines 4469--4470 Underfull \hbox (badness 10000) in paragraph at lines 4492--4493 [100] Underfull \hbox (badness 10000) in paragraph at lines 4523--4524 Overfull \hbox (26.27502pt too wide) in paragraph at lines 4559--4559 [] \OT1/cmtt/m/n/10.95 subroutine xcifc_libxc(xctype,n,c_tb09,tempa,rho,rhoup,r hodn,g2rho,g2up,g2dn, & Overfull \hbox (32.02371pt too wide) in paragraph at lines 4559--4559 [] \OT1/cmtt/m/n/10.95 grho2,gup2,gdn2,gupdn,tau,tauup,taudn,ex,ec,vx,vc,vxup, vxdn,vcup,vcdn,dxdgr2, &[] Overfull \hbox (32.02371pt too wide) in paragraph at lines 4559--4559 [] \OT1/cmtt/m/n/10.95 dxdgu2,dxdgd2,dxdgud,dcdgr2,dcdgu2,dcdgd2,dcdgud,dxdg2r ,dxdg2u,dxdg2d,dcdg2r, &[] [101] Underfull \hbox (badness 10000) in paragraph at lines 4606--4607 [102] Overfull \hbox (6.55638pt too wide) in paragraph at lines 4609--4613 \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 4632--4633 Underfull \hbox (badness 10000) in paragraph at lines 4656--4657 [103] Underfull \hbox (badness 10000) in paragraph at lines 4680--4681 [104] Underfull \hbox (badness 10000) in paragraph at lines 4717--4718 [105] Overfull \hbox (3.28027pt too wide) in paragraph at lines 4765--4765 [] \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 4766--4767 Underfull \hbox (badness 10000) in paragraph at lines 4796--4797 [106] Overfull \hbox (9.02896pt too wide) in paragraph at lines 4821--4821 [] \OT1/cmtt/m/n/10.95 subroutine xcifc(xctype,n,c_tb09,tempa,rho,rhoup,rhodn,g rho,gup,gdn,g2rho, & Overfull \hbox (26.27502pt too wide) in paragraph at lines 4821--4821 [] \OT1/cmtt/m/n/10.95 g2up,g2dn,g3rho,g3up,g3dn,grho2,gup2,gdn2,gupdn,tau,tau up,taudn,ex,ec,vx,vc, &[] Overfull \hbox (26.27502pt too wide) in paragraph at lines 4821--4821 [] \OT1/cmtt/m/n/10.95 vxup,vxdn,vcup,vcdn,dxdgr2,dxdgu2,dxdgd2,dxdgud,dcdgr2, dcdgu2,dcdgd2,dcdgud, &[] [107] Underfull \hbox (badness 10000) in paragraph at lines 4873--4874 [108] Underfull \hbox (badness 10000) in paragraph at lines 4907--4908 Underfull \hbox (badness 10000) in paragraph at lines 4931--4932 [109] Underfull \hbox (badness 10000) in paragraph at lines 4952--4953 Overfull \hbox (32.02371pt too wide) in paragraph at lines 4964--4964 [] \OT1/cmtt/m/n/10.95 Contact hyperfine field evaluated at the nuclear rad ius rather than averaged[] Underfull \hbox (badness 10000) in paragraph at lines 4978--4979 [110] Underfull \hbox (badness 10000) in paragraph at lines 4999--5000 Underfull \hbox (badness 10000) in paragraph at lines 5021--5022 [111] Underfull \hbox (badness 10000) in paragraph at lines 5045--5046 Underfull \hbox (badness 10000) in paragraph at lines 5070--5071 [112] Underfull \hbox (badness 10000) in paragraph at lines 5092--5093 Underfull \hbox (badness 10000) in paragraph at lines 5124--5125 [113] Underfull \hbox (badness 10000) in paragraph at lines 5150--5151 Overfull \hbox (26.27502pt too wide) in paragraph at lines 5175--5175 [] \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 5176--5177 [114] Underfull \hbox (badness 10000) in paragraph at lines 5200--5201 Overfull \hbox (3.28027pt too wide) in paragraph at lines 5227--5227 [] \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 5228--5229 [115] Underfull \hbox (badness 10000) in paragraph at lines 5257--5258 Underfull \hbox (badness 10000) in paragraph at lines 5287--5288 [116] Underfull \hbox (badness 10000) in paragraph at lines 5309--5310 Underfull \hbox (badness 10000) in paragraph at lines 5332--5333 Overfull \hbox (0.21347pt too wide) in paragraph at lines 5335--5338 []\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- [117] Underfull \hbox (badness 10000) in paragraph at lines 5356--5357 Underfull \hbox (badness 10000) in paragraph at lines 5380--5381 [118] Overfull \hbox (26.27502pt too wide) in paragraph at lines 5398--5398 [] \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 5401--5402 Underfull \hbox (badness 10000) in paragraph at lines 5426--5427 [119] Underfull \hbox (badness 10000) in paragraph at lines 5445--5446 Underfull \hbox (badness 10000) in paragraph at lines 5466--5467 Underfull \hbox (badness 10000) in paragraph at lines 5485--5486 [120] Underfull \hbox (badness 10000) in paragraph at lines 5505--5506 Underfull \hbox (badness 10000) in paragraph at lines 5525--5526 [121] Underfull \hbox (badness 10000) in paragraph at lines 5545--5546 Underfull \hbox (badness 10000) in paragraph at lines 5565--5566 Underfull \hbox (badness 10000) in paragraph at lines 5585--5586 [122] Underfull \hbox (badness 10000) in paragraph at lines 5603--5604 [123] Underfull \hbox (badness 10000) in paragraph at lines 5637--5638 Underfull \hbox (badness 10000) in paragraph at lines 5672--5673 [124] Underfull \hbox (badness 10000) in paragraph at lines 5707--5708 Overfull \hbox (0.44627pt too wide) in paragraph at lines 5710--5712 []\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 5729--5730 [125] Underfull \hbox (badness 10000) in paragraph at lines 5750--5751 Underfull \hbox (badness 10000) in paragraph at lines 5771--5772 [126] Underfull \hbox (badness 10000) in paragraph at lines 5792--5793 Underfull \hbox (badness 10000) in paragraph at lines 5813--5814 [127] Underfull \hbox (badness 10000) in paragraph at lines 5834--5835 Underfull \hbox (badness 10000) in paragraph at lines 5854--5855 [128] Underfull \hbox (badness 10000) in paragraph at lines 5873--5874 Underfull \hbox (badness 10000) in paragraph at lines 5894--5895 Underfull \hbox (badness 10000) in paragraph at lines 5916--5917 [129] Underfull \hbox (badness 10000) in paragraph at lines 5936--5937 Underfull \hbox (badness 10000) in paragraph at lines 5957--5958 [130] Underfull \hbox (badness 10000) in paragraph at lines 5978--5979 Underfull \hbox (badness 10000) in paragraph at lines 5999--6000 [131] Underfull \hbox (badness 10000) in paragraph at lines 6026--6027 Overfull \hbox (5.17302pt too wide) in paragraph at lines 6029--6031 []\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 6047--6048 Underfull \hbox (badness 10000) in paragraph at lines 6065--6066 [132] Underfull \hbox (badness 10000) in paragraph at lines 6098--6099 [133] Underfull \hbox (badness 10000) in paragraph at lines 6118--6119 Underfull \hbox (badness 10000) in paragraph at lines 6140--6141 [134] Overfull \hbox (3.28027pt too wide) in paragraph at lines 6172--6172 [] \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 6172--6172 [] \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 6172--6172 [] \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 6173--6174 Underfull \hbox (badness 10000) in paragraph at lines 6202--6203 [135] Underfull \hbox (badness 10000) in paragraph at lines 6225--6226 Overfull \hbox (9.02896pt too wide) in paragraph at lines 6249--6249 [] \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 6250--6251 [136] Underfull \hbox (badness 10000) in paragraph at lines 6274--6275 Underfull \hbox (badness 10000) in paragraph at lines 6296--6297 [137] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6326--6326 [] \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 6326--6326 [] \OT1/cmtt/m/n/10.95 evecfv : first-variational eigenvectors (in,complex( nmatmax,nstfv,nspnfv))[] Underfull \hbox (badness 10000) in paragraph at lines 6327--6328 [138] Underfull \hbox (badness 10000) in paragraph at lines 6358--6359 Underfull \hbox (badness 10000) in paragraph at lines 6377--6378 Underfull \hbox (badness 10000) in paragraph at lines 6400--6401 [139] Underfull \hbox (badness 10000) in paragraph at lines 6423--6424 Underfull \hbox (badness 10000) in paragraph at lines 6458--6459 [140] Underfull \hbox (badness 10000) in paragraph at lines 6510--6511 [141] Underfull \hbox (badness 10000) in paragraph at lines 6537--6538 [142] Overfull \hbox (14.77765pt too wide) in paragraph at lines 6584--6584 [] \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 6585--6586 Underfull \hbox (badness 10000) in paragraph at lines 6619--6620 [143] Overfull \hbox (9.02896pt too wide) in paragraph at lines 6658--6658 [] \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 6659--6660 [144] Underfull \hbox (badness 10000) in paragraph at lines 6688--6689 Underfull \hbox (badness 10000) in paragraph at lines 6710--6711 [145] Underfull \hbox (badness 10000) in paragraph at lines 6740--6741 [146] Underfull \hbox (badness 10000) in paragraph at lines 6772--6773 [147] Underfull \hbox (badness 10000) in paragraph at lines 6800--6801 Underfull \hbox (badness 10000) in paragraph at lines 6835--6836 [148] Underfull \hbox (badness 10000) in paragraph at lines 6854--6855 Underfull \hbox (badness 10000) in paragraph at lines 6874--6875 [149] Underfull \hbox (badness 10000) in paragraph at lines 6901--6902 Underfull \hbox (badness 10000) in paragraph at lines 6924--6925 [150] Underfull \hbox (badness 10000) in paragraph at lines 6950--6951 Underfull \hbox (badness 10000) in paragraph at lines 6978--6979 [151] Underfull \hbox (badness 10000) in paragraph at lines 7006--7007 Underfull \hbox (badness 10000) in paragraph at lines 7028--7029 [152] Underfull \hbox (badness 10000) in paragraph at lines 7056--7057 Underfull \hbox (badness 10000) in paragraph at lines 7079--7080 [153] Underfull \hbox (badness 10000) in paragraph at lines 7103--7104 Underfull \hbox (badness 10000) in paragraph at lines 7124--7125 [154] Underfull \hbox (badness 10000) in paragraph at lines 7144--7145 Underfull \hbox (badness 10000) in paragraph at lines 7173--7174 [155] Underfull \hbox (badness 10000) in paragraph at lines 7196--7197 [156] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7234--7234 [] \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 7234--7234 [] \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 7235--7236 Underfull \hbox (badness 10000) in paragraph at lines 7264--7265 [157] Overfull \hbox (3.28027pt too wide) in paragraph at lines 7283--7283 [] \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 7299--7299 [] \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 7299--7299 [] \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 7299--7299 [] \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 7300--7301 [158] Underfull \hbox (badness 10000) in paragraph at lines 7337--7338 Overfull \hbox (14.77765pt too wide) in paragraph at lines 7356--7356 [] \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 7357--7358 [159] Underfull \hbox (badness 10000) in paragraph at lines 7376--7377 Underfull \hbox (badness 10000) in paragraph at lines 7399--7400 [160] Underfull \hbox (badness 10000) in paragraph at lines 7441--7442 [161] Underfull \hbox (badness 10000) in paragraph at lines 7493--7494 [162] Underfull \hbox (badness 10000) in paragraph at lines 7513--7514 Underfull \hbox (badness 10000) in paragraph at lines 7536--7537 Underfull \hbox (badness 10000) in paragraph at lines 7555--7556 [163] Overfull \hbox (20.52634pt too wide) in paragraph at lines 7589--7589 [] \OT1/cmtt/m/n/10.95 apwalm : APW matching coefficients (in,complex(ngkma x,apwordmax,lmmaxapw))[] Underfull \hbox (badness 10000) in paragraph at lines 7590--7591 [164] Underfull \hbox (badness 10000) in paragraph at lines 7626--7627 Underfull \hbox (badness 10000) in paragraph at lines 7656--7657 [165] Underfull \hbox (badness 10000) in paragraph at lines 7678--7679 Underfull \hbox (badness 10000) in paragraph at lines 7704--7705 [166] Underfull \hbox (badness 10000) in paragraph at lines 7723--7724 Underfull \hbox (badness 10000) in paragraph at lines 7741--7742 [167] Underfull \hbox (badness 10000) in paragraph at lines 7763--7764 Underfull \hbox (badness 10000) in paragraph at lines 7783--7784 [168] Underfull \hbox (badness 10000) in paragraph at lines 7806--7807 Underfull \hbox (badness 10000) in paragraph at lines 7826--7827 Underfull \hbox (badness 10000) in paragraph at lines 7845--7846 [169] Overfull \hbox (16.14984pt too wide) in paragraph at lines 7848--7850 []\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 7865--7866 Underfull \hbox (badness 10000) in paragraph at lines 7885--7886 [170] Underfull \hbox (badness 10000) in paragraph at lines 7905--7906 Underfull \hbox (badness 10000) in paragraph at lines 7928--7929 [171] Underfull \hbox (badness 10000) in paragraph at lines 7952--7953 Underfull \hbox (badness 10000) in paragraph at lines 7973--7974 [172] Underfull \hbox (badness 10000) in paragraph at lines 8001--8002 Underfull \hbox (badness 10000) in paragraph at lines 8027--8028 [173] Underfull \hbox (badness 10000) in paragraph at lines 8048--8049 Underfull \hbox (badness 10000) in paragraph at lines 8068--8069 Underfull \hbox (badness 10000) in paragraph at lines 8090--8091 [174] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8110--8110 [] \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 8131--8132 [175] Underfull \hbox (badness 10000) in paragraph at lines 8163--8164 Underfull \hbox (badness 10000) in paragraph at lines 8189--8190 [176] Underfull \hbox (badness 10000) in paragraph at lines 8218--8219 [177] Underfull \hbox (badness 10000) in paragraph at lines 8242--8243 Underfull \hbox (badness 10000) in paragraph at lines 8265--8266 [178] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8293--8293 [] \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 8294--8295 Underfull \hbox (badness 10000) in paragraph at lines 8323--8324 [179] Underfull \hbox (badness 10000) in paragraph at lines 8344--8345 Underfull \hbox (badness 10000) in paragraph at lines 8365--8366 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8389--8389 [] \OT1/cmtt/m/n/10.95 nri : number of points on the inner part of the mu ffin-tin (in,integer)[] [180] Underfull \hbox (badness 10000) in paragraph at lines 8390--8391 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8418--8418 [] \OT1/cmtt/m/n/10.95 zfmt1 : first complex function in spherical harmonic s/coordinates for all Overfull \hbox (20.52634pt too wide) in paragraph at lines 8418--8418 [] \OT1/cmtt/m/n/10.95 zfmt2 : second complex function in spherical harmoni cs/coordinates for all[] Underfull \hbox (badness 10000) in paragraph at lines 8419--8420 [181] Underfull \hbox (badness 10000) in paragraph at lines 8447--8448 Overfull \hbox (14.77765pt too wide) in paragraph at lines 8475--8475 [] \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 8476--8477 [182] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8507--8507 [] \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 8508--8509 [183] Underfull \hbox (badness 10000) in paragraph at lines 8535--8536 Underfull \hbox (badness 10000) in paragraph at lines 8564--8565 [184] Overfull \hbox (3.28027pt too wide) in paragraph at lines 8596--8596 [] \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 8597--8598 [185] Overfull \hbox (20.52634pt too wide) in paragraph at lines 8620--8620 [] \OT1/cmtt/m/n/10.95 subroutine zpotcoul(nr,nri,np,npi,ld1,rl,ngdg,igf,ngp,gp c,gclgp,ld2,jlgprmt, & Overfull \hbox (14.77765pt too wide) in paragraph at lines 8645--8645 [] \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 8645--8645 [] \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 8645--8645 [] \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 8645--8645 [] \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 8646--8647 [186] [187] Overfull \hbox (14.77765pt too wide) in paragraph at lines 8723--8723 [] \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 8724--8725 [188] (./elk.aux) ) (see the transcript file for additional information) Output written on elk.pdf (188 pages, 710886 bytes). Transcript written on elk.log. make[2]: Leaving directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22/src' (cd src/spacegroup; /usr/bin/make doc) make[2]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22/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 3.141592653-2.6-1.40.22 (TeX Live 2022/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2021-11-15> patch level 1 L3 programming layer <2022-01-21> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2021/10/04 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/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.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/generic/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/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref-langpatches.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.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/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/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}] [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, 191509 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.141592653-2.6-1.40.22 (TeX Live 2022/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2021-11-15> patch level 1 L3 programming layer <2022-01-21> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2021/10/04 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/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.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/generic/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/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref-langpatches.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.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)) (/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)) (./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, 198923 bytes). Transcript written on spacegroup.log. This is pdfTeX, Version 3.141592653-2.6-1.40.22 (TeX Live 2022/dev/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./spacegroup.tex LaTeX2e <2021-11-15> patch level 1 L3 programming layer <2022-01-21> (/usr/share/texlive/texmf-dist/tex/latex/base/article.cls Document Class: article 2021/10/04 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/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.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/generic/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/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref-langpatches.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.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)) (/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)) (./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, 198923 bytes). Transcript written on spacegroup.log. make[2]: Leaving directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22/src/spacegroup' make[1]: Leaving directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' dh_auto_test -a create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary-arch dh binary-arch dh_testroot -a dh_prep -a dh_installdirs -a dh_auto_install --destdir=debian/elk-lapw/ -a debian/rules override_dh_install make[1]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' dh_install mv /build/elkcode-Xm2KIJ/elkcode-8.3.22/debian/elk-lapw/usr/bin/xps_exc.pl \ /build/elkcode-Xm2KIJ/elkcode-8.3.22/debian/elk-lapw/usr/bin/xps_exc mv /build/elkcode-Xm2KIJ/elkcode-8.3.22/debian/elk-lapw/usr/bin/elk \ /build/elkcode-Xm2KIJ/elkcode-8.3.22/debian/elk-lapw/usr/bin/elk-lapw #bug #720044 make[1]: Leaving directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' dh_installdocs -a debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' dh_installchangelogs release_notes.txt make[1]: Leaving directory '/build/elkcode-Xm2KIJ/elkcode-8.3.22' dh_installexamples -a dh_installman -a dh_perl -a dh_link -a dh_strip_nondeterminism -a dh_compress -a dh_fixperms -a dh_missing -a dh_dwz -a dwz: debian/elk-lapw/usr/bin/elk-lapw: DWARF compression not beneficial - old size 1536879 new size 1556507 dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/elk-lapw/usr/bin/eos debian/elk-lapw/usr/bin/spacegroup were not linked against libpthread.so.0 (they use none of the library's symbols) dh_installdeb -a dh_gencontrol -a 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 -a dh_builddeb -a dpkg-deb: building package 'elk-lapw' in '../elk-lapw_8.3.22-2_amd64.deb'. dpkg-deb: building package 'elk-lapw-dbgsym' in '../elk-lapw-dbgsym_8.3.22-2_amd64.deb'. dpkg-genbuildinfo --build=any -O../elkcode_8.3.22-2_amd64.buildinfo dpkg-genchanges --build=any -O../elkcode_8.3.22-2_amd64.changes dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) I: running special hook: sync-out /build/elkcode-Xm2KIJ /tmp/elkcode-8.3.22-2sriv5dgs I: cleaning package lists and apt cache... W: deleting files in /tmp: texfonts I: removing tempdir /tmp/mmdebstrap.blmDqnCKmW... I: success in 920.4552 seconds md5: elk-lapw-dbgsym_8.3.22-2_amd64.deb: OK md5: elk-lapw_8.3.22-2_amd64.deb: OK sha1: elk-lapw-dbgsym_8.3.22-2_amd64.deb: OK sha1: elk-lapw_8.3.22-2_amd64.deb: OK sha256: elk-lapw-dbgsym_8.3.22-2_amd64.deb: OK sha256: elk-lapw_8.3.22-2_amd64.deb: OK Checksums: OK