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kokalj 12a785d74b adding several doi references
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13343 c92efa57-630b-4861-b058-cf58834340f0
2017-02-24 10:43:55 +00:00
COUPLE make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00
CPV Getting ready for v6.1 2017-02-18 18:37:10 +00:00
Doc The keyword ltammd (Tamm-Dancoff approximation) was missing in the 2017-02-23 14:29:17 +00:00
EPW Modification to cope with PW changes. 2017-01-22 19:39:26 +00:00
FFTXlib Does anybody use NEC FFT libraries on NEC SX machines? 2017-02-16 18:15:36 +00:00
GUI bug fix of "tclu::scan"; the number count of conversions was not always correct 2017-01-26 19:02:32 +00:00
GWW Removal of ctrl-M - many many changes but nothing really happening 2016-12-21 16:15:04 +00:00
LAXlib Missing object files 2017-01-23 23:42:55 +00:00
LR_Modules Believe it or not, CMPLX(0.d0,0.d0) /= (0.d0,0.d0) : the latter is a double 2017-02-17 13:11:41 +00:00
Modules increasing the precision for writing density to XSF datagrid from f13.5 to f14.6 (the old precision may be a bit low for Bader analysis). This will increase the xsf file size by about 7%, but disks are much larger today than 20 years ago 2017-02-24 08:28:42 +00:00
NEB Getting ready for v6.1 2017-02-18 18:37:10 +00:00
PHonon Getting ready for v6.1 2017-02-18 18:37:10 +00:00
PP BUG FIX: The Fermi energy was scaled not in the right place, caused a problem 2017-02-21 09:35:26 +00:00
PW adding several doi references 2017-02-24 10:43:55 +00:00
PWCOND Update examples with smearing=mv 2017-02-18 20:01:41 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA QHA broken by format change 2014-04-09 11:14:35 +00:00
TDDFPT The keyword ltammd (Tamm-Dancoff approximation) was missing in the 2017-02-23 14:29:17 +00:00
XSpectra Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
archive File iotk/include/iotk_auxmacros.h made rw-r--r-- 2017-02-11 08:27:51 +00:00
atomic Documentation updated 2016-11-17 07:00:30 +00:00
clib Forgotten include file, has been moved to FFTXlib/ 2016-09-23 20:30:11 +00:00
dev-tools improving regexp for doi recognition 2017-02-24 10:41:48 +00:00
include Setting ACE as default requires more care, otherwise LR codes will be broken 2017-02-20 16:01:50 +00:00
install Refresh configure 2017-02-24 09:34:51 +00:00
pseudo Added needed PP - it would be preferrable to use either an already available 2016-04-21 18:41:14 +00:00
test-suite Tests for dubious functionals hcth and olyp replaced 2017-02-19 09:27:34 +00:00
upftools Cleanup of duplicated code 2016-12-06 21:14:50 +00:00
.gitignore Upon suggestion of Nicola Mounet et al. 2017-02-12 18:46:41 +00:00
.travis.yml Travis CI runs over a Ubuntu distro which does not support MPI-3. 2017-02-12 23:02:49 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Addition of Travis for CI. 2017-01-11 10:27:43 +00:00
README Obsolete quote of Democritos as promoter of Quantum ESPRESSO 2016-06-17 12:54:16 +00:00
TODO make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00
configure make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00
environment_variables Reverted to original changes adopter to simplify local testing 2015-09-16 10:34:26 +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).

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 general documentation in directory Doc/, 
package-specific documentation in */Doc/, and the web site
http://www.quantum-espresso.org/

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.