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dalcorso 11871fb770 Cleanup.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6146 c92efa57-630b-4861-b058-cf58834340f0
2009-11-13 17:14:12 +00:00
CPV Error message issued when ecutrho > 4*ecutwfc for non-US or non-PAW 2009-11-13 07:19:38 +00:00
D3 variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
Doc Documentation on NEB updated with info provided by LP 2009-11-07 09:53:03 +00:00
EE first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
GIPAW More minor cleanup (this time "harmless", not "harmful"!) 2009-11-09 18:53:05 +00:00
GUI Namelist &phonon and related variables removed from PWscf. It wasn't working 2009-09-24 19:44:04 +00:00
GWW More minor cleanup (this time "harmless", not "harmful"!) 2009-11-09 18:53:05 +00:00
Gamma variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
Modules Removing debug edit that slipped in last commit. 2009-11-10 12:58:00 +00:00
PH Cleanup. 2009-11-13 17:14:12 +00:00
PP More minor cleanup (this time "harmless", not "harmful"!) 2009-11-09 18:53:05 +00:00
PW Error message issued when ecutrho > 4*ecutwfc for non-US or non-PAW 2009-11-13 07:19:38 +00:00
PWCOND variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
TDDFPT Nasty bug due to change in the number of variables in add_vuspsi 2009-11-09 08:18:19 +00:00
VdW variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
XSpectra More minor cleanup (this time "harmless", not "harmful"!) 2009-11-09 18:53:05 +00:00
atomic variables ortho_para and use_task_group moved from control_flags to 2009-11-09 16:07:19 +00:00
atomic_doc Added NLCC to N pseudopotential. 2009-03-25 15:26:05 +00:00
clib memstat.c modified to be compliant with C standard (picky compilers may complain) 2009-10-10 16:36:49 +00:00
cptests variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
dev-tools Packaging updated and simplified a little bit - now "make doc" makes pdf 2009-07-22 13:32:58 +00:00
doc-def A few updates: disk_io='none', extrapolation 2009-11-06 20:43:16 +00:00
examples Added an example to illustrate how to split a phonon calculation 2009-11-13 17:06:28 +00:00
extlibs add iotk tar file 2009-10-30 11:50:39 +00:00
flib Merge of initial printout between CP and PW: CPV/environment.f90 moved 2009-11-06 17:28:19 +00:00
include Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
install Debug message had been left in configure 2009-11-08 17:28:39 +00:00
plugins small modif to clean and veryclean now sentences shorter 2009-10-30 11:32:37 +00:00
pseudo first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
pwtools Small change to the installation mechanism: the list of locations for 2009-07-22 17:18:42 +00:00
tests variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
upftools Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Merge of initial printout between CP and PW: CPV/environment.f90 moved 2009-11-06 17:28:19 +00:00
README an other test allcvs Root=/cvsroot/allcvs 2009-11-11 09:45:50 +00:00
TODO More minor cleanup (this time "harmless", not "harmful"!) 2009-11-09 18:53:05 +00:00
cl2html.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
configure Some minor changes to configure environment: 2009-11-04 14:58:01 +00:00
cvs2cl.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +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.