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giannozz f5f19028e4 Minor documentation updates
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12298 c92efa57-630b-4861-b058-cf58834340f0
2016-04-11 17:55:42 +00:00
COUPLE Obsolete reference to deleted variable removed 2015-12-21 12:50:36 +00:00
CPV Added a missing part in the routine setup_alpha_pv.f90, which was taken from PH. This was a bug for metals (because one variable was not set up, i.e. emax), which I introduced by mistake a few weeks ago while moving some parts of the PH code to LR_Modules. Sorry about this! 2016-04-11 09:12:52 +00:00
Doc Minor documentation updates 2016-04-11 17:55:42 +00:00
EPW Restructuration of the Eliashberg part (Roxana) + debug memory optimization. 2016-04-11 10:52:19 +00:00
FFTXlib - small optimization for task group 2016-04-09 15:01:59 +00:00
GUI version update 2015-06-19 19:22:59 +00:00
GWW - adding one parameter to sticks_dist call. 2016-03-31 09:31:24 +00:00
LAXlib - adding timing for matrix multiplication, 2016-02-14 22:20:11 +00:00
LR_Modules cleanup of commented debubbing printouts 2016-04-11 16:19:09 +00:00
Modules phonon with vdW-DF/vdw-DF2/rVV10 added. 2016-04-11 15:40:37 +00:00
NEB Missing dependency maybe the reason why parallel make and buildbot don't work 2016-01-27 10:02:48 +00:00
PHonon Minor documentation updates 2016-04-11 17:55:42 +00:00
PP Changes by Guido Fratesi to sumpdos.f90 2016-04-07 20:12:54 +00:00
PW Minor documentation updates 2016-04-11 17:55:42 +00:00
PWCOND Fix dependencies 2016-03-26 14:45:06 +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 Minor changes: update and correct some comments in TDDFPT 2016-04-06 10:38:04 +00:00
VdW Merged the "nlcc_any" of the "nlcc_ph" module with the "nlcc_any" of the "uspp" module. 2016-02-20 17:16:16 +00:00
XSpectra Removal of unused "iunigk" variable 2016-02-09 15:08:11 +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 Since we are in the process of moving stuff around, I think it is a good 2016-01-26 12:51:02 +00:00
clib - FFT Modules replaced by FFTXlib 2015-11-21 10:37:48 +00:00
dev-tools Script updated to include EPW; PlotPhon and QHA ot in PHOnon 2016-03-24 20:57:18 +00:00
include Configure modified so that it produces a file include/configure.h with 2016-04-10 16:34:50 +00:00
install Configure modified so that it produces a file include/configure.h with 2016-04-10 16:34:50 +00:00
pseudo Support for ballistic transport with DFT+U using pseudopotential projectors added to PWcond. 2012-10-24 09:41:28 +00:00
test-suite Same for pbe0 2016-03-15 08:49:36 +00:00
upftools Obsolescent routine "bachel" moved from flib/ to the only place where it is 2016-01-24 09:51:46 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile "make clean" should now clean LR_Modules as well 2016-02-28 16:45:02 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO A few minor things left out of last commit 2016-01-26 13:06:44 +00:00
configure Added make distclean: revert distribution to the original status 2016-01-08 10:51:21 +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.