mirror of https://gitlab.com/QEF/q-e.git
3ac7eed5cb
the EXX patch, that may or may not work (but cannot be any worse than before). The problem was in the definition of the reduced FFT grid (cutoff ecutfock) used by EXX: it must be the same for all pools. Not sure the way it is defined now it is completely correct, though. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13728 c92efa57-630b-4861-b058-cf58834340f0 |
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COUPLE | ||
CPV | ||
Doc | ||
EPW | ||
FFTXlib | ||
GUI | ||
GWW | ||
KS_Solvers | ||
LAXlib | ||
LR_Modules | ||
Modules | ||
NEB | ||
PHonon | ||
PP | ||
PW | ||
PWCOND | ||
PlotPhon | ||
QHA | ||
TDDFPT | ||
UtilXlib | ||
XSpectra | ||
archive | ||
atomic | ||
clib | ||
dev-tools | ||
include | ||
install | ||
pseudo | ||
test-suite | ||
upftools | ||
.gitignore | ||
.travis.yml | ||
License | ||
Makefile | ||
README | ||
TODO | ||
configure | ||
environment_variables |
README
This is the distribution of the Quantum ESPRESSO suite of codes (ESPRESSO: opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization). Quick installation instructions for the impatient: ./configure [options] make all ("make" alone prints a list of acceptable targets). Binaries go in bin/. For more information, see the general documentation in directory Doc/, package-specific documentation in */Doc/, and the web site http://www.quantum-espresso.org/ All the material included in this distribution is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. These programs are distributed in the hope that they will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA.