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obm 3ec28c1a27 Some more bug fixes to TDDFPT and projection algorithm.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6490 c92efa57-630b-4861-b058-cf58834340f0
2010-03-15 10:44:08 +00:00
CPV New ggen by Norbert verified and re-commited; useless re-ordering 2010-03-04 14:38:48 +00:00
D3 PGI doesn't like the "\\" at the end of latex formulas: it interprets them 2010-03-06 08:05:17 +00:00
Doc Ooops... 2010-02-16 12:18:40 +00:00
EE Normalize whitespace and keywords (N. Nemec) 2010-02-22 08:13:22 +00:00
GIPAW programs started with mp_global_start should end with mp_global_end. Not a 2010-02-25 20:03:07 +00:00
GUI Namelist &phonon and related variables removed from PWscf. It wasn't working 2009-09-24 19:44:04 +00:00
GWW programs started with mp_global_start should end with mp_global_end. Not a 2010-02-25 20:03:07 +00:00
Gamma programs started with mp_global_start should end with mp_global_end. Not a 2010-02-25 20:03:07 +00:00
Modules Improved generation of FR PAW dataset. 2010-03-13 10:45:42 +00:00
PH Bug fix: a recent change to the phonon code was not compatible with GWW. 2010-03-09 13:31:27 +00:00
PP Updated pw2blip.f90 to latest version (arbitrary FFT grid) 2010-03-02 15:15:51 +00:00
PW added ms2 indications (provisory) 2010-03-11 12:29:38 +00:00
PWCOND More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
TDDFPT Some more bug fixes to TDDFPT and projection algorithm. 2010-03-15 10:44:08 +00:00
VdW programs started with mp_global_start should end with mp_global_end. Not a 2010-02-25 20:03:07 +00:00
XSpectra symme => symm_base (forgotten commit) 2010-02-17 17:55:45 +00:00
atomic Small changes. 2010-03-13 15:08:17 +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 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 Minor input documentation updated: a,b,c,cosab,cosac,cosbc 2010-03-02 11:27:11 +00:00
examples Documentation for EXX updated - please verify 2010-03-10 19:36:35 +00:00
extlibs add iotk tar file 2009-10-30 11:50:39 +00:00
flib New ggen by Norbert verified and re-commited; useless re-ordering 2010-03-04 14:38:48 +00:00
include Added signal processing by RdM. Disabled by default, enabled by option 2010-02-08 19:25:34 +00:00
install Fixed problem on sp6: --with-scalapack + no scalapack = bogus library found 2010-03-09 09:26:08 +00:00
plugins Updated to wannier90 v.1.2 2010-01-29 16:37:44 +00:00
pseudo DOS control-M characters removed from two pseudopotential files. These 2010-03-11 21:00:37 +00:00
pwtools Removed duplicated subroutines 2010-02-15 11:44:51 +00:00
tests test for metadynamics removed 2010-02-08 08:51:45 +00:00
upftools Removed #def'ined __ALLOCATABLE that confused some development software tool 2010-03-01 17:07:18 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Fix make dependency: EE/ depends on Modules/ (N. Nemec) 2010-03-11 10:14:44 +00:00
README More instances of nonstandard forms for "Quantum ESPRESSO" 2010-01-18 13:46:16 +00:00
TODO New ggen by Norbert verified and re-commited; useless re-ordering 2010-03-04 14:38:48 +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.