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marsamos c094c603a7 default values for mpime neb_comm in neb.f90 where missing. deallocate error with g95 in read_pseudo for msh array solved with an if allocated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8324 c92efa57-630b-4861-b058-cf58834340f0
2011-12-12 15:33:48 +00:00
CPV - descla descriptor passed as an argument rather than used through "use" keyword 2011-12-11 09:05:59 +00:00
Doc Added reference to Jorge's book 2011-12-08 16:03:37 +00:00
GUI textually replacing cvs to svn 2011-06-08 06:38:08 +00:00
GWW Compilation problem in GWW 2011-11-18 17:17:08 +00:00
Modules default values for mpime neb_comm in neb.f90 where missing. deallocate error with g95 in read_pseudo for msh array solved with an if allocated 2011-12-12 15:33:48 +00:00
NEB default values for mpime neb_comm in neb.f90 where missing. deallocate error with g95 in read_pseudo for msh array solved with an if allocated 2011-12-12 15:33:48 +00:00
PHonon Small cleanup. 2011-12-12 13:31:56 +00:00
PP More harmonization of conversion constants 2011-11-26 08:42:55 +00:00
PW recently introduced minor bug 2011-12-11 11:53:19 +00:00
PWCOND PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA Added missing quotes 2011-10-18 14:09:19 +00:00
TDDFPT Updates print_clock_lr. Also included a call to environment_end so TDDFPT now exits in the QE way. 2011-11-22 14:19:29 +00:00
VdW PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
XSpectra Conversion constant rytoev 2011-11-26 08:48:10 +00:00
archive now plumed output with cp uses same units as pw a.u for distances 2011-03-23 16:12:21 +00:00
atomic Added an additional check, to avoid a very rare, but possible, infinite loop. 2011-12-06 15:10:24 +00:00
clib Harmless memory leak: missing deallocation 2011-10-22 14:13:21 +00:00
dev-tools MInor update 2011-06-16 15:46:51 +00:00
doc-def Misspell 2011-12-07 08:45:49 +00:00
examples Example script updated to the new electron_phonon input variable. 2011-11-22 10:59:35 +00:00
extlibs Removed lines like the following from iotk *.f90 files: 2011-06-25 13:02:50 +00:00
flib Problem fix: hse + lsda was giving NaN in some cases. 2011-11-21 16:41:56 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install added svnpropedit for GIPAW and EPW(testing version) 2011-12-05 12:43:07 +00:00
pseudo Backward-compatibility with old PP format solved hopefully for good. 2011-06-25 14:55:05 +00:00
pwtools Yet another occurrence of removed subroutines fuxed 2011-08-10 08:02:58 +00:00
tests Berry phase calculation should now work also with empty bands. Can be 2011-11-15 14:41:13 +00:00
upftools CASINO/UPF converter bug. Missing nullify_* calls causing problems with gfortran compilers. 2011-11-13 15:23:54 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Missing ' 2011-12-10 10:28:50 +00:00
README This is an other test 2011-04-11 08:13:30 +00:00
TODO Removed (again) masses in a.u. from global variables. BEWARE: I haven't 2011-08-31 19:49:28 +00:00
configure configure wrapper doesn't choke any longer on variables containing spaces. 2010-06-18 17:24:05 +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 DEMOCRITOS National Simulation Center 
of the Italian INFM (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 documentation contained in directory Doc/,
consult the web site http://www.quantum-espresso.org/ and in particular
the Wiki page http://www.quantum-espresso.org/wiki/index.php/Main_Page .

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.