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giannozz 655b713f25 More symmetry cleanup: symtns => symmatrix (works in cartesian coordinates,
supersedes GIPAW/sym_cart_tensor.f90) - GIPAW and VdW untested


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6288 c92efa57-630b-4861-b058-cf58834340f0
2010-01-11 22:48:10 +00:00
CPV Bug in read_rho for spin-polarized case - courtesy by Andrea Ferretti 2009-12-09 16:53:08 +00:00
D3 Minor symmetry cleanup: S^{-1} moved to symmetry module and its usage 2010-01-09 15:21:34 +00:00
Doc Better (?) algorithm for G-space symmetrization 2010-01-06 16:54:57 +00:00
EE Bug fix: some unitialized variables when pw.x was called from phonon. 2009-11-23 07:59:04 +00:00
GIPAW More symmetry cleanup: symtns => symmatrix (works in cartesian coordinates, 2010-01-11 22:48:10 +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 symmetry cleanup: symtns => symmatrix (works in cartesian coordinates, 2010-01-11 22:48:10 +00:00
Gamma Minor symmetry cleanup: S^{-1} moved to symmetry module and its usage 2010-01-09 15:21:34 +00:00
Modules start porting of Hannu Komsa routines for HSE calculations. 2010-01-11 18:11:08 +00:00
PH More symmetry cleanup: symtns => symmatrix (works in cartesian coordinates, 2010-01-11 22:48:10 +00:00
PP Minor symmetry cleanup: routines symscalar, symvect moved into module symme. 2010-01-10 13:22:09 +00:00
PW More symmetry cleanup: symtns => symmatrix (works in cartesian coordinates, 2010-01-11 22:48:10 +00:00
PWCOND Oops... forgot to remove debug line in previous commit. GS 2009-11-20 10:49:09 +00:00
TDDFPT Tight merge with espresso step 1, addusdens 2009-12-15 10:55:43 +00:00
VdW More symmetry cleanup: symtns => symmatrix (works in cartesian coordinates, 2010-01-11 22:48:10 +00:00
XSpectra Modules/environmet.o added 2009-11-20 17:57:45 +00:00
atomic Cleanup. 2010-01-08 15:40:59 +00:00
atomic_doc Minor updates to the documentation 2009-11-15 19:59:16 +00:00
clib memstat.c modified to be compliant with C standard (picky compilers may complain) 2009-10-10 16:36:49 +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 updates to the documentation (now only in a single place) 2010-01-09 08:56:29 +00:00
examples obsolete option stm_wfc_match removed 2010-01-07 14:21:08 +00:00
extlibs add iotk tar file 2009-10-30 11:50:39 +00:00
flib start porting of Hannu Komsa routines for HSE calculations. 2010-01-11 18:11:08 +00:00
include Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
install Configure cleanup and simplification. The unthreaded verison of MKL is 2009-12-15 12:35:55 +00:00
plugins small modif to clean and veryclean now sentences shorter 2009-10-30 11:32:37 +00:00
pseudo first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
pwtools Small change to the installation mechanism: the list of locations for 2009-07-22 17:18:42 +00:00
tests variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
upftools Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile "make clean" cleans the documentation. This is an exceedingly bad idea. 2009-11-23 20:37:23 +00:00
README an other test allcvs Root=/cvsroot/allcvs 2009-11-11 09:45:50 +00:00
TODO Better (?) algorithm for G-space symmetrization 2010-01-06 16:54:57 +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.