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CPV We cannot change the behavior of namelists accepting "!" as comment 2012-11-21 13:34:21 +00:00
Doc Very funny problem with the random-number generator randy: if incorrectly 2012-11-11 14:44:36 +00:00
GUI updating help file 2012-11-22 13:20:57 +00:00
GWW - new dependencies 2012-07-26 15:40:42 +00:00
Modules Added a routine to divide calculations among two communicators and a 2012-11-21 14:55:09 +00:00
NEB compute_scf is a simple routine, let it include into libneb.a 2012-09-23 13:41:15 +00:00
PHonon The ph.x now checks that the files are really opened before closing 2012-11-21 14:17:55 +00:00
PP BerkeleyGW interface: error handling, comments 2012-11-16 13:09:35 +00:00
PW Added a routine to divide calculations among two communicators and a 2012-11-21 14:55:09 +00:00
PWCOND Support for ballistic transport with DFT+U using pseudopotential projectors added to PWcond. 2012-10-24 09:41:28 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA Bug in script (Lorenzo) 2012-06-26 02:17:14 +00:00
TDDFPT make.depend and scrpt generating them updated 2012-10-24 14:31:17 +00:00
VdW - new dependencies 2012-07-26 15:41:07 +00:00
XSpectra - new dependencies 2012-07-26 15:40:55 +00:00
archive new plumed version added 2012-11-21 14:48:16 +00:00
atomic Spelling 2012-11-07 14:09:34 +00:00
clib make.depend and scrpt generating them updated 2012-10-24 14:31:17 +00:00
dev-tools This should be removed 2012-06-20 09:15:22 +00:00
flib Mistake in the new functional pbeq2d 2012-09-12 17:01:06 +00:00
include Added info on new preprocessing option 2012-10-10 17:52:52 +00:00
install change plumed link, change other plugin links to 5.0.2 2012-11-21 14:44:32 +00:00
pseudo Support for ballistic transport with DFT+U using pseudopotential projectors added to PWcond. 2012-10-24 09:41:28 +00:00
upftools Misleading error message 2012-10-16 19:01:18 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile ELPA v0.2: temporary disabled OpenMP extensions since they were producing crashes on Linux machines, added COPYING/License informations, improved configure (if --without-elpa then the library is not compiled at all). 2012-10-23 11:30:37 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO Documentation updated with mention of new contributions and acknowledgment of 2012-10-24 15:11:29 +00:00
configure The correct working version is r6851, not r6815. My bad. 2012-07-19 13:10:58 +00:00
environment_variables Added a reminder of the flags available for parallelization. 2012-10-10 14:45:51 +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.