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dalcorso ff0c45aa11 Bug fix: This seems as a serious bug that affects the saving of the
wavefunctions with images. 
Due to this bug phonon + images + pool sometimes crashes. 
Please check.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9285 c92efa57-630b-4861-b058-cf58834340f0
2012-08-13 13:32:06 +00:00
CPV add few more digit to the charge density print-out format 2012-08-07 14:13:24 +00:00
Doc Added warning about running tests and examples on too meny processors 2012-07-24 18:59:07 +00:00
GUI * adopting to new CELL_PARAMETERS options alat|bohr|angstroms 2012-05-14 10:40:59 +00:00
GWW - new dependencies 2012-07-26 15:40:42 +00:00
Modules mxr, the maximum number of lattice vectors contained in a sphere used for 2012-08-07 16:44:57 +00:00
NEB Fixing some problems in the copy of input files (lines were split at 80th character if using Intel MPI). 2012-08-06 15:05:33 +00:00
PHonon Cleanup of the symmetry initialization of the phonon code. 2012-08-07 16:56:57 +00:00
PP BerkeleyGW interface: a proper way to handle non-linear core correction. 2012-08-10 02:05:50 +00:00
PW Bug fix: This seems as a serious bug that affects the saving of the 2012-08-13 13:32:06 +00:00
PWCOND - new dependencies 2012-07-26 15:44:01 +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 - new dependencies 2012-07-26 15:39:30 +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 extlibs deleted moved to archive and main install 2012-01-03 11:33:44 +00:00
atomic Missing comma 2012-07-20 13:14:34 +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 This should be removed 2012-06-20 09:15:22 +00:00
flib Atomic weights updated to element 109. 2012-07-28 13:23:05 +00:00
include Use of -D__BANDS is not needed anymore in PW. 2012-04-12 10:04:27 +00:00
install other changes for BGQ 2012-08-10 09:20:45 +00:00
pseudo Backward-compatibility with old PP format solved hopefully for good. 2011-06-25 14:55:05 +00:00
upftools Another small cleanup. 2012-07-29 08:11:43 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Temporary diversion to GIPAW svn trunk. 2012-07-25 08:26:54 +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 The correct working version is r6851, not r6815. My bad. 2012-07-19 13:10:58 +00:00
environment_variables Added an example to illustrate the use of images in ph.x. 2012-08-05 12:39:44 +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.