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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10506 c92efa57-630b-4861-b058-cf58834340f0
2013-10-03 14:07:13 +00:00
CPV Some updates to input documentation 2013-10-03 08:38:28 +00:00
Doc Report MPI changes 2013-10-03 14:07:13 +00:00
GUI version update 2012-11-22 14:06:42 +00:00
GWW More minor MPI changes by Axel: 2013-10-01 20:04:21 +00:00
Modules More minor MPI changes by Axel: 2013-10-01 20:04:21 +00:00
NEB More minor MPI changes by Axel: 2013-10-01 20:04:21 +00:00
PHonon More minor MPI changes by Axel: 2013-10-01 20:04:21 +00:00
PP More minor MPI changes by Axel: 2013-10-01 20:04:21 +00:00
PW Added definition of new variable "vdw_corr", replacing three different variables, 2013-10-03 08:26:39 +00:00
PWCOND More minor MPI changes by Axel: 2013-10-01 20:04:21 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA Bug in script (Lorenzo) 2012-06-26 02:17:14 +00:00
TDDFPT More minor MPI changes by Axel: 2013-10-01 20:04:21 +00:00
VdW vdw compiles again. 2013-01-31 17:20:27 +00:00
XSpectra The IFLAGS variable is set in make.sys to a value that works if sources are 2013-08-26 16:36:27 +00:00
archive Internal changes: combining phiGEMM profiling capabilities and ELPA it is possible to profile internal GEMM calls. 2013-01-02 10:07:47 +00:00
atomic - more clean-up about mp call without communicator 2013-09-28 23:32:46 +00:00
clib l1 is an unsigned int: it cannot be negative, error is signaled by it being == 0 2013-04-09 13:44:09 +00:00
dev-tools This should be removed 2012-06-20 09:15:22 +00:00
flib Some change to the logic of generate_k_along_lines. 2013-09-21 09:24:27 +00:00
include CRAY compiler now supported. 2013-03-28 16:57:44 +00:00
install Compile and run QE-GPU on CRAY XK7 using PGI compilers -- updates 2013-09-18 21:46:47 +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 Misleading error message 2012-10-16 19:01:18 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile - more Axel patches for LAMMPS and QE integration 2013-09-27 14:37:51 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO Misc minor corrections + compilation problem introduced in recent commit 2012-12-21 17:04:55 +00:00
configure The correct working version is r6851, not r6815. My bad. 2012-07-19 13:10:58 +00:00
environment_variables Misspell 2013-08-10 10:41:57 +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.