Go to file
giannozz be3290502c New attempt towards a safer mechanism to produce file version.f90
The previous one was not working in some cases


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9212 c92efa57-630b-4861-b058-cf58834340f0
2012-07-20 16:10:47 +00:00
CPV Re-added estimate of spin contamination that had disappeared in the past 2012-07-20 10:01:06 +00:00
Doc Check on task groups + EXX added 2012-07-18 20:59:14 +00:00
GUI * adopting to new CELL_PARAMETERS options alat|bohr|angstroms 2012-05-14 10:40:59 +00:00
GWW Fix to make GWW compile again (not sure it still works, though) 2012-07-11 09:35:05 +00:00
Modules New attempt towards a safer mechanism to produce file version.f90 2012-07-20 16:10:47 +00:00
NEB Address for network download of pseudopotentials updated and moved to 2012-05-14 13:10:13 +00:00
PHonon make.depend updated 2012-07-20 13:54:45 +00:00
PP Forgot to upload documentation in previous commit. 2012-07-06 09:10:16 +00:00
PW First cleanup of the stress routine - seems to be ok but please check it 2012-07-20 12:52:47 +00:00
PWCOND make.depend updated 2012-07-20 13:54:45 +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 ColorCalculator by Ge Xiaochuan. Not sure whether it works 2012-06-15 13:31:21 +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 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 List of elements extended to element 109 (now you can study Meitnerium-Hassium 2012-07-10 08:49:53 +00:00
include Use of -D__BANDS is not needed anymore in PW. 2012-04-12 10:04:27 +00:00
install IBM machines do not like "diff -q" 2012-07-20 13:37:00 +00:00
pseudo Backward-compatibility with old PP format solved hopefully for good. 2011-06-25 14:55:05 +00:00
upftools Added pbsol case to cpmd->upf converter 2012-07-10 16:57:19 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Minor changes 2012-07-01 08:58:47 +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 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.