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kokalj 01bce5f684 updating projwfc.x's gui
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CPV changing doc-def/input_xx.xsl to dev-tools/input_xx.xsl 2012-01-20 12:07:16 +00:00
Doc Namelist names changed according to Tone's suggestion. Beware: this will 2012-01-20 11:13:04 +00:00
GUI updating projwfc.x's gui 2012-01-20 13:12:55 +00:00
GWW example31 moved to PW/examples/example10 2012-01-09 14:24:01 +00:00
Modules Modified two keywords for Solvent calculations to conform them to the litterature on the method. 2012-01-19 16:10:44 +00:00
NEB some minor textual layout changes 2012-01-20 12:36:22 +00:00
PHonon changing doc-def/input_xx.xsl to dev-tools/input_xx.xsl 2012-01-20 12:15:22 +00:00
PP changing doc-def/input_xx.xsl to dev-tools/input_xx.xsl 2012-01-20 12:17:04 +00:00
PW changing doc-def/input_xx.xsl to dev-tools/input_xx.xsl 2012-01-20 12:19:48 +00:00
PWCOND changing doc-def/input_xx.xsl to dev-tools/input_xx.xsl 2012-01-20 12:18:23 +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 Reference output for the TDDFPT examples regenerated due to numerical differences introduced in commit 8361. 2012-01-13 16:30:22 +00:00
VdW VdW new dir structure 2012-01-10 14:08:15 +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 changing doc-def/input_xx.xsl to dev-tools/input_xx.xsl 2012-01-20 12:10:53 +00:00
clib Harmless memory leak: missing deallocation 2011-10-22 14:13:21 +00:00
dev-tools making it aware of documentation changes 2012-01-20 12:34:18 +00:00
examples WannierHam_example moved to PP/examples 2012-01-12 16:53:14 +00:00
flib For a high enough value of n (~about 120 on my system) this function overflows and gives NaN. This should never happen in principle, but can happen in projwfc or similar if the compile 2012-01-10 17:07:41 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install VdW new dir structure 2012-01-10 14:08:15 +00:00
pseudo Backward-compatibility with old PP format solved hopefully for good. 2011-06-25 14:55:05 +00:00
upftools Documentation (sort of) on what the virtual.x does or is supposed to do 2012-01-10 17:33:25 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile updating doc target: making it aware of documentation changes 2012-01-20 12:32:31 +00:00
README Cleanup 2012-01-20 12:32:15 +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 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.