mirror of https://gitlab.com/QEF/q-e.git
985a4ee612
C.S. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1847 c92efa57-630b-4861-b058-cf58834340f0 |
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BUGS | ||
CREDITS | ||
ChangeLog | ||
ChangeLog.cp | ||
ChangeLog.pw | ||
INPUT.HOWTO | ||
INPUT_CHDENS | ||
INPUT_CP | ||
INPUT_D3 | ||
INPUT_EFG | ||
INPUT_FPMD | ||
INPUT_Gamma | ||
INPUT_PH | ||
INPUT_PP | ||
INPUT_PROJWFC | ||
INPUT_PW | ||
INPUT_PWCOND | ||
INPUT_RAM | ||
README | ||
README.WANNIER | ||
democritos.eps | ||
democritos.png | ||
iotk_manual.txt | ||
pwscf.eps | ||
pwscf.png | ||
refman.tex | ||
users-guide.tex |
README
This is the available documentation for the Quantum-ESPRESSO package: manual.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}" 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.