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dalcorso fd73966324 Bug fix: a problem with the routine that symmetrizes the quantization axis in
the noncollinear/GGA case.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7238 c92efa57-630b-4861-b058-cf58834340f0
2010-11-23 09:34:17 +00:00
CPV More variable name harmoization: ngmt, ng_g => ngm_g 2010-11-22 11:45:28 +00:00
D3 All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
Doc Minor updates to the user guide, in particular for the new NEB (to be completed) 2010-11-20 18:18:29 +00:00
EE Harmonization of FFT grid variables with CP: 2010-09-18 16:48:39 +00:00
GIPAW All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
GUI grrr #!@! 2010-05-12 10:14:24 +00:00
GWW All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
Gamma All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
Modules More variable name harmoization: ngmt, ng_g => ngm_g 2010-11-22 11:45:28 +00:00
NEB All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
PH All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
PP All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
PW Bug fix: a problem with the routine that symmetrizes the quantization axis in 2010-11-23 09:34:17 +00:00
PWCOND All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +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 All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
VdW All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
XSpectra All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
atomic Added to ld1.x the possibility to write the all-electron charge in a file after 2010-11-17 16:32:38 +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 clean-up of the md5_from_file routine 2010-08-19 15:30:58 +00:00
cptests Reference data updated, wall time properly printed 2010-08-30 11:50:20 +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 Added a comment on how to make Hartree calculations with ld1.x. 2010-11-18 17:18:41 +00:00
examples uncommented asym example in example17 (new neb) 2010-11-01 21:34:29 +00:00
extlibs The internal blas was not compiling correctly due to different compile flags 2010-10-19 21:22:47 +00:00
flib Fix 'make depend' (N. Nemec) 2010-11-03 12:39:51 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +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 Fix 'make depend' (N. Nemec) 2010-11-03 12:39:51 +00:00
tests Automatic test for NEB is no longer working - disabled waiting for bettere ideas 2010-09-01 01:15:35 +00:00
upftools program interpolate.x reads a pseudopotential in the UPF format and 2010-11-13 23:36:46 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Workaround to compile iotk with no optimization. Contained in one 2010-11-20 17:52:27 +00:00
README More instances of nonstandard forms for "Quantum ESPRESSO" 2010-01-18 13:46:16 +00:00
TODO All references to EE/ subdirectory and to libraries in Multigrid/ removed. 2010-11-18 15:49:00 +00:00
cl2html.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
configure configure wrapper doesn't choke any longer on variables containing spaces. 2010-06-18 17:24:05 +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.