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dalcorso 660c1d6153 Some cleanup due to the use of becp_type.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6055 c92efa57-630b-4861-b058-cf58834340f0
2009-10-20 12:50:28 +00:00
CPV ortho_para removed from input variables (it has been declared obsoclescent 2009-10-19 19:56:33 +00:00
D3 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
Doc Added a short note and link to external code performing Bader's analysis; 2009-10-20 10:16:44 +00:00
EE first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
GIPAW Small cleanup. add_vuspsi does not use psi. 2009-10-14 14:32:37 +00:00
GUI Namelist &phonon and related variables removed from PWscf. It wasn't working 2009-09-24 19:44:04 +00:00
GWW Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
Gamma First attempt to solve the problem of xcrysden not reading the final 2009-10-17 11:19:30 +00:00
Modules ortho_para removed from input variables (it has been declared obsoclescent 2009-10-19 19:56:33 +00:00
PH Some cleanup due to the use of becp_type. 2009-10-20 12:50:28 +00:00
PP Added a short note and link to external code performing Bader's analysis; 2009-10-20 10:16:44 +00:00
PW Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
PWCOND Intrinsic AND that some compilers don't like replaced with stanbdard IAND 2009-10-20 10:58:58 +00:00
TDDFPT Some checks before the IARS school 2009-10-14 12:32:29 +00:00
VdW Previous commit was not completed. 2009-10-14 14:43:03 +00:00
XSpectra last changes on becp broke compilation of xspectra. 2009-09-21 09:17:22 +00:00
atomic first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
atomic_doc Added NLCC to N pseudopotential. 2009-03-25 15:26:05 +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 Documentation updated 2009-10-20 10:55:46 +00:00
examples One more example updated 2009-09-28 12:58:52 +00:00
extlibs waiting to find alternative solution for ibm compatibility with 2009-10-19 17:00:52 +00:00
flib forgot to erase dlamch.o from flib Makefile 2009-10-15 14:11:38 +00:00
include Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
install Cleanup 2009-10-19 19:49:13 +00:00
plugins changed tar ... -C with cat command suggested by Lorenzo Paulatto 2009-10-19 13:00:42 +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 modif of general Makefile for comp with new dir extlib and new 2009-10-15 13:23:06 +00:00
README Doc + configure update 2007-11-21 15:49:25 +00:00
TODO More things to do 2009-10-17 11:16:50 +00:00
cl2html.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
configure CFLAGS is a source of trouble: arguments passed directly to configure 2009-09-28 12:36:54 +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.