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giannozz 8f7bf30f3d CP can now read files produced by PW also for spin-polarized cases.
Works only if PW uses Gamma, wf_collect, occupations from input.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6846 c92efa57-630b-4861-b058-cf58834340f0
2010-06-18 08:33:16 +00:00
CPV CP can now read files produced by PW also for spin-polarized cases. 2010-06-18 08:33:16 +00:00
D3 diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
Doc Minor documentation update 2010-06-11 14:41:31 +00:00
EE Final details 2010-05-07 07:55:14 +00:00
GIPAW One more "diropn" definition missing 2010-06-14 06:47:13 +00:00
GUI grrr #!@! 2010-05-12 10:14:24 +00:00
GWW diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
Gamma diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
Modules diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
PH diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
PP Spin-polarized problem fixed in k-resolved DOS, example added to example 8 2010-06-16 16:10:52 +00:00
PW Fixed an inconsistency in the format of the xml file between PW and CP 2010-06-17 16:50:53 +00:00
PWCOND Small cleanup of pwcond. 2010-06-14 14:23:17 +00:00
PlotPhon Added a small script to clean the PlotPhon examples. 2010-05-07 09:29:18 +00:00
QHA Added QHA package - Courtesy of Eyvaz Isaev 2010-04-29 14:29:09 +00:00
TDDFPT diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
VdW operation between non-conformant arrays 2010-04-19 16:31:45 +00:00
XSpectra diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
atomic The values of grid parameter dx is calculated in a less sensitive way to 2010-06-10 13:16:06 +00:00
atomic_doc Small changes. 2010-03-13 15:08:17 +00:00
clib Added signal processing by RdM. Disabled by default, enabled by option 2010-02-08 19:25:34 +00:00
cptests CP tests updated. Please check! 2010-03-21 10:43:00 +00:00
dev-tools dev-tools/src-normal: simple python script to normalize Fortran 90 source code (N. Nemec) 2010-05-14 14:56:29 +00:00
doc-def Documentation for projwfc updated (should have been done yesterday) 2010-06-15 13:23:47 +00:00
examples Spin-polarized problem fixed in k-resolved DOS, example added to example 8 2010-06-16 16:10:52 +00:00
extlibs extlib Makefile updated for iotk...tar.gz and blas ...tar.gz 2010-04-27 13:36:40 +00:00
flib diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install Yet another configure glitch with openmp 2010-05-29 13:15:04 +00:00
plugins distribution file re-added as binary. AF 2010-04-16 20:24:41 +00:00
pseudo Added the pseudopotentials for example36. 2010-05-23 11:58:59 +00:00
pwtools Added modifications by Eyvaz, cleanup of various conversion factors. 2010-05-01 13:41:51 +00:00
tests test updated to reflect new input 2010-03-27 12:51:01 +00:00
upftools diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
README More instances of nonstandard forms for "Quantum ESPRESSO" 2010-01-18 13:46:16 +00:00
TODO Minor documentation update 2010-06-11 14:41:31 +00:00
cl2html.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
configure "Experimental" and nonfunctional configure slipped into one of past commits 2010-06-14 17:45:49 +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.