quantum-espresso/Doc
kkudin b7e50f2aac added conversion between THz and cm^{-1} for those who are THz challenged
Kostya


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2030 c92efa57-630b-4861-b058-cf58834340f0
2005-07-15 20:57:43 +00:00
..
BUGS Misc doc updates 2005-04-12 18:00:01 +00:00
CREDITS credits updated. C.S. 2005-06-14 21:10:40 +00:00
ChangeLog Doc update 2005-02-08 15:36:29 +00:00
ChangeLog.cp documentation update 2004-11-25 15:15:26 +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 iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used 2004-12-10 15:20:46 +00:00
INPUT_CP added conversion between THz and cm^{-1} for those who are THz challenged 2005-07-15 20:57:43 +00:00
INPUT_D3 Doc update 2005-05-20 07:56:33 +00:00
INPUT_DOS Doc update 2005-05-20 07:56:33 +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 Minor fixes. C.S. 2005-06-29 21:26:24 +00:00
INPUT_Gamma Some cleanup (delta_e does only what is useful and where it is useful) 2005-04-19 14:18:34 +00:00
INPUT_PH Doc update 2005-05-20 07:56:33 +00:00
INPUT_PP Support for mac-osx added (contributed by Pascal Thibaudeau) 2004-08-09 16:35:51 +00:00
INPUT_PROJWFC Doc update 2005-05-20 07:56:33 +00:00
INPUT_PW Documentation update 2005-07-08 13:54:22 +00:00
INPUT_PWCOND Modified doc file for PWCOND 2005-01-31 09:25:28 +00:00
INPUT_RAM Documentation update 2004-08-27 14:23:09 +00:00
README manual.tex now is called users-guide.tex [Gerardo] 2005-05-25 14:40:25 +00:00
README.WANNIER *** empty log message *** 2005-03-21 13:05:27 +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
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 Doc updates 2005-04-11 19:05:10 +00:00
users-guide.tex Documentation update 2005-07-08 13:54:22 +00:00

README

This is the available documentation for the Quantum-ESPRESSO package:

users-guide.tex    User's Guide for Quantum-ESPRESSO
                   Requires "html.sty" (from latex2html package): if
                   not available, comment "\usepackage{html}" and
                   uncomment "\def\htmladdnormallink#1#2{#1}" near the
                   beginning of the file.

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 Quantum-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.