mirror of https://gitlab.com/QEF/q-e.git
258eb13bd8
'fpmd' has been completely merged with 'cp'. Now cp.x stops with an error when fpmd is specified. For the time being the fpmd main is kept in the repository. - Computation of empty states is going to dropped (PW at gamma can be used to compute empty states as well, and it can restart from CP wavefunctions ) Now cp.x stops with an error inviting the user to use pw.x instead. For the time being the empty states module is kept in the repository. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5957 c92efa57-630b-4861-b058-cf58834340f0 |
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CPV | ||
D3 | ||
Doc | ||
EE | ||
GIPAW | ||
GUI | ||
GWW | ||
Gamma | ||
Modules | ||
Multigrid | ||
PH | ||
PP | ||
PW | ||
PWCOND | ||
TDDFPT | ||
VdW | ||
XSpectra | ||
atomic | ||
atomic_doc | ||
clib | ||
cptests | ||
dev-tools | ||
doc-def | ||
examples | ||
flib | ||
include | ||
install | ||
plugins | ||
pseudo | ||
pwtools | ||
tests | ||
upftools | ||
License | ||
Makefile | ||
README | ||
TODO | ||
cl2html.pl | ||
configure | ||
cvs2cl.pl |
README
This is the distribution of the Quantum-ESPRESSO suite of codes (ESPRESSO: opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization), promoted by the DEMOCRITOS National Simulation Center of the Italian INFM (http://www.democritos.it). 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 documentation contained in directory Doc/, consult the web site http://www.quantum-espresso.org/ and in particular the Wiki page http://www.quantum-espresso.org/wiki/index.php/Main_Page . 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.