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giannozz 9d97c7ed17 The location of xml input file can be read from environment variable QEXML
(for testing: non need to modify all input files)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11766 c92efa57-630b-4861-b058-cf58834340f0
2015-09-25 08:04:21 +00:00
COUPLE "pot" parallelization level, no longer used, is removed 2015-08-20 17:29:18 +00:00
CPV The printout for electric-field routines was slightly misleading 2015-09-24 10:34:40 +00:00
Doc Standard F2003 calls to: get_environment_variable, get_command_argument, 2015-09-24 10:24:03 +00:00
GUI version update 2015-06-19 19:22:59 +00:00
GWW Standard F2003 calls to: get_environment_variable, get_command_argument, 2015-09-24 10:24:03 +00:00
Modules The location of xml input file can be read from environment variable QEXML 2015-09-25 08:04:21 +00:00
NEB Standard F2003 calls to: get_environment_variable, get_command_argument, 2015-09-24 10:24:03 +00:00
PHonon Standard F2003 calls to: get_environment_variable, get_command_argument, 2015-09-24 10:24:03 +00:00
PP The recently introduced standard construct 'advance="no"' was sometimes inside 2015-09-24 13:25:59 +00:00
PW Misspells 2015-09-25 07:16:00 +00:00
PWCOND Standard F2003 calls to: get_environment_variable, get_command_argument, 2015-09-24 10:24:03 +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 Standard F2003 calls to: get_environment_variable, get_command_argument, 2015-09-24 10:24:03 +00:00
VdW Standard F2003 calls to: get_environment_variable, get_command_argument, 2015-09-24 10:24:03 +00:00
XSpectra Standard F2003 calls to: get_environment_variable, get_command_argument, 2015-09-24 10:24:03 +00:00
archive qe patch for plumed-1.3 updated to qe-5.2. Removal of veryold PLUMED-latest.tar.gz. 2015-06-11 13:51:00 +00:00
atomic A few more small fixes for NAG compilers; '' replaced by " in formats 2015-09-17 06:11:44 +00:00
clib Preprocessing option __INTEL replaced by __INTEL_COMPILER that the compiler 2015-09-24 13:10:28 +00:00
dev-tools Ready for release v5.2.1 2015-09-23 20:09:52 +00:00
flib Standard F2003 calls to: get_environment_variable, get_command_argument, 2015-09-24 10:24:03 +00:00
include Preprocessing option __INTEL replaced by __INTEL_COMPILER that the compiler 2015-09-24 13:10:28 +00:00
install Ready for release v5.2.1 2015-09-23 20:09:52 +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 The recently introduced standard construct 'advance="no"' was sometimes inside 2015-09-24 13:25:59 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Updated release version numbers. 2015-09-23 18:19:46 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO Minor updates to documentation 2014-05-30 07:42:46 +00:00
configure The correct working version is r6851, not r6815. My bad. 2012-07-19 13:10:58 +00:00
environment_variables Reverted to original changes adopter to simplify local testing 2015-09-16 10:34:26 +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.