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calandra 4a94de6059 Completed modification to assure continuity of
dvscf(G=0) for q->0.
For details see Phys RevB 82 165111 section III B

Not tested with PAW.

MCB


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10995 c92efa57-630b-4861-b058-cf58834340f0
2014-05-23 08:37:24 +00:00
COUPLE Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
CPV Updates to version number in preparation of next release 2014-04-09 08:41:02 +00:00
Doc Discontinuity in Delta V_{scf} at q=0 fixed (courtesy of Matteo Calandra) 2014-05-21 07:25:42 +00:00
GUI version update 2014-05-21 10:44:49 +00:00
GWW Correct spelling is "length", not "lenght" 2014-05-19 19:43:47 +00:00
Modules Correct spelling is "length", not "lenght" 2014-05-19 19:43:47 +00:00
NEB Updates to version number in preparation of next release 2014-04-09 08:41:02 +00:00
PHonon Completed modification to assure continuity of 2014-05-23 08:37:24 +00:00
PP Big files make tarballs too big 2014-05-21 08:49:39 +00:00
PW Obscure restart bug finally found 2014-05-22 19:38:41 +00:00
PWCOND Example for PWcond within LDA+U(pseudo) fixed and updated (GS) 2014-04-14 08:41:05 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA QHA broken by format change 2014-04-09 11:14:35 +00:00
TDDFPT since do_environ is no longer used, no need to pass use_environ 2014-05-16 15:57:29 +00:00
VdW Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
XSpectra Files make.depend updated 2014-04-04 09:36:29 +00:00
archive Remove tabulators from iotk 2013-10-10 14:44:18 +00:00
atomic Small corrections. 2013-11-25 16:44:44 +00:00
clib Modified according to suggestion by Pizzi and Cepellotti 2014-05-09 19:04:20 +00:00
dev-tools Yet another release script glitch 2014-05-21 08:35:21 +00:00
flib Correct spelling is "length", not "lenght" 2014-05-19 19:43:47 +00:00
include CRAY compiler now supported. 2013-03-28 16:57:44 +00:00
install Script modified to work with latest environ-related stuff, at least when 2014-05-16 16:40:16 +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 Update for the vandeilt conversion tools with the 2013-11-08 11:01:03 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile deleted Environ related lines 2014-02-25 10:44:49 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO Branch espresso-datafile merged back into trunk 2014-02-05 21:37:36 +00:00
configure The correct working version is r6851, not r6815. My bad. 2012-07-19 13:10:58 +00:00
environment_variables mp_global replaced with more apropriate modules in Modules/ 2013-10-13 13:36:46 +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.