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giannozz 3c918159f4 A few updates to the FAQ's - many more needed
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6623 c92efa57-630b-4861-b058-cf58834340f0
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CPV Another "quantum-espresso" 2010-04-12 19:58:22 +00:00
D3 More occurrences of nonstandard forms for "Quantum ESPRESSO" 2010-04-12 19:20:14 +00:00
Doc A few updates to the FAQ's - many more needed 2010-04-13 13:51:58 +00:00
EE Normalize whitespace and keywords (N. Nemec) 2010-02-22 08:13:22 +00:00
GIPAW Some cleanup to simplify machine-parsing (N. Nemec) 2010-03-31 10:04:40 +00:00
GUI Namelist &phonon and related variables removed from PWscf. It wasn't working 2009-09-24 19:44:04 +00:00
GWW More occurrences of nonstandard forms for "Quantum ESPRESSO" 2010-04-12 19:20:14 +00:00
Gamma Printed value of the polarizability includes local-field effects 2010-04-07 12:36:33 +00:00
Modules More variables that should have an initial value 2010-04-08 15:28:12 +00:00
PH More occurrences of nonstandard forms for "Quantum ESPRESSO" 2010-04-12 19:20:14 +00:00
PP More occurrences of nonstandard forms for "Quantum ESPRESSO" 2010-04-12 19:20:14 +00:00
PW Misplaced line in yesterday's commit 2010-04-13 10:05:50 +00:00
PWCOND Harmless bug fix: check of an unitialized variable. 2010-03-31 09:17:08 +00:00
TDDFPT More occurrences of nonstandard forms for "Quantum ESPRESSO" 2010-04-12 19:20:14 +00:00
VdW Rename Modules/functionals.f90 to Modules/funct.f90 to avoid basename clash with flib/functionals.f90 (N. Nemec) 2010-03-17 12:01:22 +00:00
XSpectra Due to some modifications in PW/read_file.f90 the DFT+U 2010-04-02 04:16:49 +00:00
atomic Some cleanup to simplify machine-parsing (N. Nemec) 2010-03-31 10:04:40 +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 Packaging updated and simplified a little bit - now "make doc" makes pdf 2009-07-22 13:32:58 +00:00
doc-def Update manual doc-def/INPUT_CP.def adding assume_isolated 2010-04-09 21:14:03 +00:00
examples Updated citation to Gougoussis et al. Phys. Rev. B 80, 075102 (2009) 2010-04-01 12:03:39 +00:00
extlibs add serucity lock for cleaning if co is done without elimination of 2010-03-16 11:10:57 +00:00
flib Cleanup of sources to simplify machine-parsing: PROGRAM name matches name of target executable, cleanup EXTERNAL statements (N. Nemec) 2010-03-17 12:01:50 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install added AC_SUBST for topdir 2010-04-01 08:25:26 +00:00
plugins espresso configure giving yambo paths to lapack, blas and iotk. want and yambo 2010-04-01 10:13:10 +00:00
pseudo DOS control-M characters removed from two pseudopotential files. These 2010-03-11 21:00:37 +00:00
pwtools Fermi Surface calculation: updated 2010-04-07 10:33:59 +00:00
tests test updated to reflect new input 2010-03-27 12:51:01 +00:00
upftools Added list of converters 2010-04-13 12:38:17 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Makefile cleanup; added possibility to install executables into a 2010-04-07 15:40:03 +00:00
README More instances of nonstandard forms for "Quantum ESPRESSO" 2010-01-18 13:46:16 +00:00
TODO More occurrences of nonstandard forms for "Quantum ESPRESSO" 2010-04-12 19:20:14 +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.