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marsamos f83cfca2a0 open_input_file modified to automatically detect xml. There is no nedd 
for arg -xmlinput now.
all routines calling find_free_unit or trimcheck have been
modified. 


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7926 c92efa57-630b-4861-b058-cf58834340f0
 		2011-07-04 15:27:16 +00:00
CPV open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
D3 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
Doc Added a few FAQs 2011-07-01 19:58:11 +00:00
GUI textually replacing cvs to svn 2011-06-08 06:38:08 +00:00
GWW open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
Gamma open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
Modules open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
NEB open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
PH open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
PP open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
PW open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
PWCOND open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +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 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
VdW open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
XSpectra k-points are in start_k, not input_parameters. 2011-05-18 08:59:21 +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 For PAW, AE scattering wavefunctions normalized with rcutus instead of rcut. 2011-06-09 19:18:32 +00:00
atomic_doc Iron PAW dataset that, for some misterious reason, was not working anymore tenatively fixed. 2010-08-02 09:30:07 +00:00
clib forgot to clean patches before commit 2011-05-17 09:39:46 +00:00
cptests Added curl as wget replacement on Mac OSX and other machines 2011-02-25 17:43:51 +00:00
dev-tools MInor update 2011-06-16 15:46:51 +00:00
doc-def ibrav=-12 (as 12 with a and c axis orthogonal) seems to work 2011-06-16 15:43:28 +00:00
examples open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
extlibs Removed lines like the following from iotk *.f90 files: 2011-06-25 13:02:50 +00:00
flib trimcheck and find_free_unit now in flib 2011-07-04 15:24:48 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install Missing flag for openmp on some AIX machines 2011-06-28 13:46:13 +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 Forgot again lda => pz 2011-06-23 10:03:51 +00:00
upftools open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Removal of obsolete references to cvs 2011-06-30 15:29:11 +00:00
README This is an other test 2011-04-11 08:13:30 +00:00
TODO Removal of obsolete references to cvs 2011-06-30 15:29:11 +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.