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giannozz 905a09f7bd iOne more format increased (was too small for large cells)
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CPV Of course it was not going to work 2010-02-16 17:36:20 +00:00
D3 More symmetry cleanup: checksym and cheall sym inside module symm_base. 2010-02-14 15:36:56 +00:00
Doc Ooops... 2010-02-16 12:18:40 +00:00
EE Makefile updated 2010-02-11 16:47:34 +00:00
GIPAW Forgetten in testerday commit 2010-02-13 09:35:33 +00:00
GUI Namelist &phonon and related variables removed from PWscf. It wasn't working 2009-09-24 19:44:04 +00:00
GWW Call to ubound and lbound caused compilation problems with g95, probably 2010-02-17 09:28:38 +00:00
Gamma More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
Modules iOne more format increased (was too small for large cells) 2010-02-17 16:45:43 +00:00
PH More symmetry cleanup: checksym and cheall sym inside module symm_base. 2010-02-14 15:36:56 +00:00
PP More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
PW Format incresed (insufficient in large systems) 2010-02-17 16:40:56 +00:00
PWCOND More symmetry cleanup (sort of). Symmetry-related variables, together with 2010-02-12 20:57:55 +00:00
TDDFPT An out of bound problem due to wrong use of temporary memory. 2010-02-17 14:56:24 +00:00
VdW All makefiles simplified, make.depend updated, fixed an inconsistency in 2010-02-09 15:21:51 +00:00
XSpectra XSpectra fixed (why does it use a different copy of read_file?), minor 2010-02-14 15:57:29 +00:00
atomic All makefiles simplified, make.depend updated, fixed an inconsistency in 2010-02-09 15:21:51 +00:00
atomic_doc Typo 2010-02-08 14:53:42 +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 corrected Rydberg to Hartree 2010-02-16 17:38:25 +00:00
examples daily trest scroipt uopdated, added TD-DFPT test 2010-02-17 15:40:22 +00:00
extlibs add iotk tar file 2009-10-30 11:50:39 +00:00
flib Unused sorting subroutines gqsort, iqsort, rqsort removed. There used to 2010-02-16 15:03:30 +00:00
include Added signal processing by RdM. Disabled by default, enabled by option 2010-02-08 19:25:34 +00:00
install Workaround for PGI and Cray compilers that get confused by f77 files in 2010-02-15 18:34:26 +00:00
plugins Updated to wannier90 v.1.2 2010-01-29 16:37:44 +00:00
pseudo first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +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 All makefiles simplified, make.depend updated, fixed an inconsistency in 2010-02-09 15:21:51 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile "make all" now also compiles TDDFPT 2010-02-17 13:28:24 +00:00
README More instances of nonstandard forms for "Quantum ESPRESSO" 2010-01-18 13:46:16 +00:00
TODO TODO updated 2010-02-13 11:53:29 +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.