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kokalj cccf7ce2f2 making gui aware of new input variable: london_c6(i), i=1,ntyp
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11596 c92efa57-630b-4861-b058-cf58834340f0
2015-06-19 19:12:42 +00:00
COUPLE Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
CPV Misspells + removal of unused routine 2015-05-20 16:56:36 +00:00
Doc Added converter of newer HGH pseudopotentials to UPF format. For the time 2015-06-18 16:30:04 +00:00
GUI making gui aware of new input variable: london_c6(i), i=1,ntyp 2015-06-19 19:12:42 +00:00
GWW Added option for exporting polarizability basis. 2015-05-07 14:35:54 +00:00
Modules adding the possibility for vdw_corr = 'Grimme-D2' to specify custom atomic C6 coefficients from the pw.x input 2015-06-19 19:09:03 +00:00
NEB Misspells + removal of unused routine 2015-05-20 16:56:36 +00:00
PHonon Small cleanup of unused variables. 2015-06-18 14:39:38 +00:00
PP better specification of boxes for tdosinboxes 2015-06-19 17:20:14 +00:00
PW description of new input variable: london_c6(i), i=1,ntyp 2015-06-19 19:11:06 +00:00
PWCOND Removed useless #ifdef __MPI, definition of starting index of real-space FFT 2015-05-13 13:16:24 +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 2015-06-17 10:19:29 +00:00
VdW Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
XSpectra Recently added redundant code merged 2015-01-20 08:07:52 +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 Last fix for gipaw+test+relativistic calculation was not fixing all. 2015-02-24 14:06:26 +00:00
clib Small change on previous commit: apparently (i.e. according to documentation) LoadLeveler send a SIGXCPU after soft_wall is reached and SIGKILL when har_wall is reached. I've added trapping of SIGXCPU. 2014-06-04 14:23:19 +00:00
dev-tools Last commit wasn't a good idea after all: the energy printout during scf loop 2015-02-25 21:52:56 +00:00
flib Added a b unique monoclinic lattice ibrav=-13 and one base (A) centered 2014-07-29 08:34:14 +00:00
include Removal of __STD_F95 preprocessing option: compilers that do not accept 2015-05-05 21:11:38 +00:00
install automatic compilation of yambo-devel updated to v4.0.1 2015-06-19 17:42:49 +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 Added converter of newer HGH pseudopotentials to UPF format. For the time 2015-06-18 16:30:04 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Proper cleaning. 2015-06-16 14:28:07 +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 Explicit setting of "locale" to C may prevent funny problems with tests and 2014-10-16 14:43:05 +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.