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sponce fd0e49b026 Addition of two tests for diamond.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12533 c92efa57-630b-4861-b058-cf58834340f0
2016-06-22 16:48:23 +00:00
COUPLE - well, npt should stay there for backward compatibility!! 2016-06-09 15:12:19 +00:00
CPV Output of electron nose' thermostat in prefix.nos 2016-06-21 08:04:45 +00:00
Doc Missing acknowledgments added 2016-06-14 16:28:13 +00:00
EPW Addition of two tests for diamond. 2016-06-22 16:48:23 +00:00
FFTXlib creation of a first example with reference for FFTXlib 2016-06-22 11:34:16 +00:00
GUI version update 2015-06-19 19:22:59 +00:00
GWW Bug coorected. 2016-06-20 12:06:24 +00:00
LAXlib Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 2016-04-27 14:53:38 +00:00
LR_Modules Global variable "eprec" no longer useful, deleted 2016-06-21 10:50:51 +00:00
Modules a dft_is_non_local boolean element has been added to the vdW type to be printed only in the output element 2016-06-17 16:14:41 +00:00
NEB Fix for NEB+hybrid functionals (courtesy of Daveide Colleoni) 2016-05-05 21:08:14 +00:00
PHonon Global variable "eprec" no longer useful, deleted 2016-06-21 10:50:51 +00:00
PP New option write_eig=false/true, allows to use Wannier90 with GW corrections 2016-06-10 14:24:22 +00:00
PW Useless reference to input_parameters module 2016-06-21 15:35:50 +00:00
PWCOND More removal of I/O for index - harmless but please verify if head.x works 2016-06-13 12:39:34 +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 In the previous commit make.depend contained routines, which are not needed. 2016-06-21 13:30:01 +00:00
XSpectra Preliminary explanation of the spectra manipulation tool. 2016-06-22 14:41:55 +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 Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 2016-04-27 14:53:38 +00:00
clib - FFT Modules replaced by FFTXlib 2015-11-21 10:37:48 +00:00
dev-tools Updating release procedure 2016-04-25 09:16:46 +00:00
include Cleanup of obsolete stuff in include/ - please note what is marked OBSOLESCENT 2016-05-19 12:35:41 +00:00
install configure-new is actually old and not usued 2016-06-11 15:00:38 +00:00
pseudo Added needed PP - it would be preferrable to use either an already available 2016-04-21 18:41:14 +00:00
test-suite - Addition of a new test (t06 for lpolar) 2016-06-22 15:24:09 +00:00
upftools Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 2016-04-27 14:53:38 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Little changes that only affect behaviour with BuildBot 2016-05-18 08:09:12 +00:00
README Obsolete quote of Democritos as promoter of Quantum ESPRESSO 2016-06-17 12:54:16 +00:00
TODO Minor updates to documentation 2016-04-20 13:33:31 +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).

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.