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giannozz 42a00ca4f5 All tests updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8398 c92efa57-630b-4861-b058-cf58834340f0
2012-01-06 16:59:27 +00:00
CPV Speedup of force calculation in CP+U. Already on moderate-size systems, O(100) 2011-12-23 17:45:56 +00:00
Doc Tetrahedra extended to magnetic symmetries 2012-01-06 16:43:14 +00:00
GUI textually replacing cvs to svn 2011-06-08 06:38:08 +00:00
GWW PW/src PW/tools compiling makedeps updated 2011-12-14 17:33:33 +00:00
Modules Free electrons working again, but only if there are 0 electrons! 2012-01-05 12:27:51 +00:00
NEB PW/src PW/tools compiling makedeps updated 2011-12-14 17:33:33 +00:00
PHonon Tetrahedra extended to magnetic symmetries 2012-01-06 16:43:14 +00:00
PP PW/src PW/tools compiling makedeps updated 2011-12-14 17:33:33 +00:00
PW All tests updated 2012-01-06 16:59:27 +00:00
PWCOND PW/src PW/tools compiling makedeps updated 2011-12-14 17:33:33 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA Added missing quotes 2011-10-18 14:09:19 +00:00
TDDFPT PW/src PW/tools compiling makedeps updated 2011-12-14 17:33:33 +00:00
VdW PW/src PW/tools compiling makedeps updated 2011-12-14 17:33:33 +00:00
XSpectra PW/src PW/tools compiling makedeps updated 2011-12-14 17:33:33 +00:00
archive extlibs deleted moved to archive and main install 2012-01-03 11:33:44 +00:00
atomic Minor changes to wfc file format: labels in first row aligned with data 2011-12-21 14:38:26 +00:00
clib Harmless memory leak: missing deallocation 2011-10-22 14:13:21 +00:00
dev-tools MInor update 2011-06-16 15:46:51 +00:00
doc-def Input documenation moved to PW/Doc 2012-01-06 11:54:34 +00:00
examples Annoying message removed 2012-01-06 11:44:19 +00:00
flib Problem fix: hse + lsda was giving NaN in some cases. 2011-11-21 16:41:56 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install An attempt to have SP recognize scalapack 2012-01-05 19:35:16 +00:00
pseudo Backward-compatibility with old PP format solved hopefully for good. 2011-06-25 14:55:05 +00:00
upftools EPW trunk set as svn:external 2011-12-14 11:32:03 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile extlibs deleted moved to archive and main install 2012-01-03 11:33:44 +00:00
README This is an other test 2011-04-11 08:13:30 +00:00
TODO Removed (again) masses in a.u. from global variables. BEWARE: I haven't 2011-08-31 19:49:28 +00:00
configure configure wrapper doesn't choke any longer on variables containing spaces. 2010-06-18 17:24:05 +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 DEMOCRITOS National Simulation Center 
of the Italian INFM (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 documentation contained in directory Doc/,
consult the web site http://www.quantum-espresso.org/ and in particular
the Wiki page http://www.quantum-espresso.org/wiki/index.php/Main_Page .

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.