quantum-espresso/Doc
ballabio 23528af0c9 added "Run examples" section to manual (plus some cleanup)
synchronized examples/README with manual [Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1419 c92efa57-630b-4861-b058-cf58834340f0
2004-11-03 18:08:00 +00:00
..
BUGS vc-relax was not working: variables lmd and ldamped not set (PC) 2004-11-03 17:48:47 +00:00
CREDITS Documentation updated 2004-09-27 17:13:46 +00:00
ChangeLog vc-relax was not working: variables lmd and ldamped not set (PC) 2004-11-03 17:48:47 +00:00
ChangeLog.cp Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
ChangeLog.pw Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
INPUT.HOWTO Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
INPUT_CHDENS chdens: fix/modifications in dipole moment calculation and makov-payne correction 2004-09-22 16:48:48 +00:00
INPUT_CP CP: pressure in GPa, not in kbar 2004-09-09 09:34:39 +00:00
INPUT_D3 Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
INPUT_EFG Add input array rc in efg.x to specify the radius of the augmentation region 2004-10-10 16:22:05 +00:00
INPUT_FPMD *** empty log message *** 2004-09-13 17:48:59 +00:00
INPUT_Gamma Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
INPUT_NC Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
INPUT_PH Doc updated. 2004-09-27 13:23:03 +00:00
INPUT_PP Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
INPUT_PROJWFC Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
INPUT_PW calculation of LDA+U contribution to forces has been modified; should be faster. 2004-11-01 10:38:11 +00:00
INPUT_PWCOND Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
INPUT_RAM Documentation update 2004-08-27 14:23:09 +00:00
README small modifications [Gerardo] 2004-09-06 15:46:21 +00:00
democritos.eps added postscript figures 2004-08-10 18:04:11 +00:00
democritos.png Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
iotk_manual.txt - small cleanup in FPMD 2004-10-15 17:25:56 +00:00
manual.tex added "Run examples" section to manual (plus some cleanup) 2004-11-03 18:08:00 +00:00
pwscf.eps added postscript figures 2004-08-10 18:04:11 +00:00
pwscf.png Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
refman.tex Added section on how to add input variables 2004-09-28 13:17:06 +00:00

README

This is the available documentation for the ESPRESSO package:

manual.tex      User's Guide for ESPRESSO
                requires html.sty (from latex2html package): if not
                available, comment "\usepackage{html}" and uncomment
                "\def\htmladdnormallink#1#2{#1}"

refman.tex      Reference (technical) manual for PWscf: little more
                than a template at present

INPUT_FPMD      Input parameters for FPMD
INPUT_CP        As above for CP (possibly obsolete)
INPUT.HOWTO     Hints on how to choose simulation parameters for CP/FPMD with
                Car-Parrinello dynamics
INPUT_PW        Input parameters for PWscf (pw.x)
INPUT_PP        Input parameters for postprocessing (pp.x)
INPUT_PROJWFC   Input parameters for postprocessing (projwave.x)
INPUT_CHDENS    Input parameters for plotting (chdens.x)
INPUT_PH        Input parameters for phonon calculations (ph.x)
INPUT_Gamma     Input parameters for normal-mode calculations (phcg.x)
INPUT_D3        Input parameters for 3rd-order derivatives (d3.x)
INPUT_EFG       Input parameters for electric-field gradient calc (efg.x)
INPUT_NC        Input parameters for noncolinear magnetism (pwnc.x)
INPUT_PWCOND    Input parameters for ballistic conductance (pwcond.x)
INPUT_RAM       Input parameters for Raman calculation (raman.x)

ChangeLog       ChangeLog for the ESPRESSO suite - after aug. 2004
ChangeLog.pw    ChangeLog before aug 2004 for PWscf
ChangeLog.cp    ChangeLog before aug 2004 for CP and FPMD

BUGS            List of bugs fixed - only bugs that have been present
                in some "official" release are listed
CREDITS         Who did what

pwscf.png, pwscf.eps, democritos.png, democritos.eps
                PWscf and DEMOCRITOS logos -- included from manual.tex

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.