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ccavazzoni c342eb54fd maybe okvan = true when nvb > 0 and not nvb > 1
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8058 c92efa57-630b-4861-b058-cf58834340f0
2011-08-07 22:36:45 +00:00
CPV Merged PW and CP versiobs of read_pseudo.f90. A few printouts and checks 2011-08-07 19:37:01 +00:00
D3 Cleanup: modules energies and printout_base moved to CPV where they are used. 2011-08-03 19:16:03 +00:00
Doc Last-minute updates 2011-07-27 16:07:59 +00:00
GUI textually replacing cvs to svn 2011-06-08 06:38:08 +00:00
GWW Cleanup: modules energies and printout_base moved to CPV where they are used. 2011-08-03 19:16:03 +00:00
Gamma Cleanup: modules energies and printout_base moved to CPV where they are used. 2011-08-03 19:16:03 +00:00
Modules maybe okvan = true when nvb > 0 and not nvb > 1 2011-08-07 22:36:45 +00:00
NEB Some k-point cleanup. No warranty it works: I don't have the possibility to 2011-08-05 16:05:06 +00:00
PH Some k-point cleanup. No warranty it works: I don't have the possibility to 2011-08-05 16:05:06 +00:00
PP Cleanup: there is no point in having the interface to W90 split into two 2011-08-04 08:37:03 +00:00
PW Merged PW and CP versiobs of read_pseudo.f90. A few printouts and checks 2011-08-07 19:37:01 +00:00
PWCOND - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA Added QHA package - Courtesy of Eyvaz Isaev 2010-04-29 14:29:09 +00:00
TDDFPT Reverting commit 7984. 2011-07-17 17:56:31 +00:00
VdW - grid data structure merged with the fft data structure. 2011-07-14 22:14:15 +00:00
XSpectra useless dependence with gipaw eliminated from Makefile. Some fix 2011-07-28 11:55:36 +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 Accept upf type "SL" 2011-07-22 08:55:39 +00:00
atomic_doc Added a link to the pslibrary project. 2011-07-07 12:24:19 +00:00
clib forgot to clean patches before commit 2011-05-17 09:39:46 +00:00
cptests My PC doesn't like the syntax "18.8lf" 2011-08-02 10:16:07 +00:00
dev-tools MInor update 2011-06-16 15:46:51 +00:00
doc-def Verbosity control merged between PW and CP; removed undesired dependency of 2011-08-06 08:43:02 +00:00
examples comment on spin polarized erased 2011-07-28 15:02:20 +00:00
extlibs Removed lines like the following from iotk *.f90 files: 2011-06-25 13:02:50 +00:00
flib Added yet another ibrav=-5 : trigonal and 3fold axis along <111> 2011-08-01 07:34:00 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install added file with list of last stable plugin releases + URL for 2011-07-28 14:59:50 +00:00
pseudo Backward-compatibility with old PP format solved hopefully for good. 2011-06-25 14:55:05 +00:00
pwtools Startup routines mp_start and mp_env merged into one 2011-01-17 21:05:54 +00:00
tests Added tests for additional values of ibrav 2011-07-18 06:44:04 +00:00
upftools Removed some non-standard Fortran that was causing upf2casino.x to choke at runtime, when using gfortran. 2011-07-25 11:53:08 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile useless dependence in Xspectra with gipaw eliminated from main Makefile. 2011-07-28 11:56:05 +00:00
README This is an other test 2011-04-11 08:13:30 +00:00
TODO Verbosity control merged between PW and CP; removed undesired dependency of 2011-08-06 08:43:02 +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.