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dalcorso 720c90733b Small bug fix: a routine called with too many arguments.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9074 c92efa57-630b-4861-b058-cf58834340f0
2012-06-11 14:36:15 +00:00
CPV Ensemble-dynamics cleanup, preventing the usage of a syntax some compilers 2012-06-10 15:26:52 +00:00
Doc Added option --with-scalapack=intelmpi with obvious meaning 2012-06-06 05:52:30 +00:00
GUI * adopting to new CELL_PARAMETERS options alat|bohr|angstroms 2012-05-14 10:40:59 +00:00
GWW seqopn moved to Modules/io_files.f90 not only to keep company to diropn but also to have an explicit interface. This is necessary to introduce an optional argument to specify the directory (as it had been done for davcio some time ago). This is also necessary for the d3 code, but can also help a finer grained distribution of temporary files. 2012-02-13 15:12:29 +00:00
Modules Sorry, forgot one instance of the previous modification. 2012-05-28 14:33:13 +00:00
NEB Address for network download of pseudopotentials updated and moved to 2012-05-14 13:10:13 +00:00
PHonon Small bug fix: a routine called with too many arguments. 2012-06-11 14:36:15 +00:00
PP Added warning on band plotting problems if two consecutive k-points are equal 2012-06-06 12:10:24 +00:00
PW More explicit message here as well 2012-06-11 09:49:53 +00:00
PWCOND Address for network download of pseudopotentials updated and moved to 2012-05-14 13:10:13 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA Added missing quotes 2011-10-18 14:09:19 +00:00
TDDFPT TDDFPT was not honoring ESPRESSO_TMPDIR environment variable 2012-06-08 08:56:14 +00:00
VdW I've modified h_psiq in order to accept one more argument (the igkq mapping) and get rid of those if/then conditions. 2012-02-13 15:06:05 +00:00
XSpectra small modif in XSPECTRA Doc 2012-05-10 14:32:26 +00:00
archive extlibs deleted moved to archive and main install 2012-01-03 11:33:44 +00:00
atomic Another misspell 2012-06-06 07:04:56 +00:00
clib Apparently the t_mode c structure is not so trivial to use, removed the possobility to specify an umask in mkdir and removed the interface to chmod 2012-02-06 15:03:21 +00:00
dev-tools makedeps.sh wasn't working as expected, make.depend updated 2012-05-20 17:34:00 +00:00
flib - yet another communicator, between images and pools, to parallelize 2012-05-25 06:46:17 +00:00
include Use of -D__BANDS is not needed anymore in PW. 2012-04-12 10:04:27 +00:00
install If a package cannot be downloaded from the web, stop makefile for good and 2012-06-07 13:53:53 +00:00
pseudo Backward-compatibility with old PP format solved hopefully for good. 2011-06-25 14:55:05 +00:00
upftools Fixed a minor bug in fhi2upf.f90 and a very serious bug in PW91 2012-02-15 09:03:10 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile tar-gui target printed only when using the SVN version of QE 2012-05-14 13:27:22 +00:00
README Cleanup 2012-01-20 12:32:15 +00:00
TODO Very minor corrections (misspells etc) 2012-02-10 13:19:37 +00:00
configure configure wrapper doesn't choke any longer on variables containing spaces. 2010-06-18 17:24:05 +00:00
environment_variables Address for network download of pseudopotentials updated and moved to 2012-05-14 13:10:13 +00:00

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 IOM-DEMOCRITOS National Simulation Center 
of the Italian CNR (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 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.