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dalcorso 9513510809 Cleanup. Repeated software moved to separate routines.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9817 c92efa57-630b-4861-b058-cf58834340f0
2013-01-19 17:20:23 +00:00
CPV Removed several unused references to "nproc" and "mpime" variables. There is 2013-01-18 14:59:52 +00:00
Doc release-notes updated 2013-01-15 09:14:53 +00:00
GUI version update 2012-11-22 14:06:42 +00:00
GWW - new dependencies 2012-07-26 15:40:42 +00:00
Modules mp_image_global_module.o deprecated 2013-01-19 15:33:54 +00:00
NEB Removed temporary (and extemporary) change that should not have been commited 2013-01-19 16:29:34 +00:00
PHonon Cleanup. Repeated software moved to separate routines. 2013-01-19 17:20:23 +00:00
PP Some compilers (i.e. g95) do not like the old syntax, when run-time checking for out of bounds, if the array is allocated to size zero. 2013-01-16 14:31:12 +00:00
PW Added some info on how to reduce memory usage 2013-01-19 14:33:51 +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 Added check to input as suggested - untested 2012-11-27 10:13:37 +00:00
VdW - new dependencies 2012-07-26 15:41:07 +00:00
XSpectra Cleanup of image-related variables tha should no longer be in PW or CP; 2013-01-16 12:53:40 +00:00
archive Internal changes: combining phiGEMM profiling capabilities and ELPA it is possible to profile internal GEMM calls. 2013-01-02 10:07:47 +00:00
atomic Small change to output of ld1.x, and compilation problem. 2012-12-17 08:45:42 +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 Safer test: accepts anything starting with <?xml ... > or <xml> in 2013-01-15 20:07:39 +00:00
include Added info on new preprocessing option 2012-10-10 17:52:52 +00:00
install Updated to work with GIPAW as well 2013-01-18 09:18:59 +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 added make epw in main makefile. 2013-01-17 14:38:39 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO Misc minor corrections + compilation problem introduced in recent commit 2012-12-21 17:04:55 +00:00
configure The correct working version is r6851, not r6815. My bad. 2012-07-19 13:10:58 +00:00
environment_variables Cleanup of image-related variables tha should no longer be in PW or CP; 2013-01-16 12:53:40 +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.