mirror of https://gitlab.com/QEF/q-e.git
69e25ef0ca
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3260 c92efa57-630b-4861-b058-cf58834340f0 |
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BUGS | ||
CREDITS | ||
ChangeLog | ||
ChangeLog.cp | ||
ChangeLog.pw | ||
INPUT.HOWTO | ||
INPUT_BANDS | ||
INPUT_CP | ||
INPUT_CPPP | ||
INPUT_CPVIB | ||
INPUT_D3 | ||
INPUT_DOS | ||
INPUT_EFG | ||
INPUT_Gamma | ||
INPUT_PH | ||
INPUT_PP | ||
INPUT_PROJWFC | ||
INPUT_PW | ||
INPUT_PWCOND | ||
INPUT_WFDD | ||
README | ||
README.AUTOPILOT | ||
constraints_HOWTO.tex | ||
democritos.eps | ||
democritos.png | ||
eps_man.tex | ||
nomefile.upf | ||
pwscf.eps | ||
pwscf.png | ||
refman.tex | ||
restart | ||
smd.tex | ||
users-guide.tex |
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 smd.tex Notes on the usage of the "Strings Method", by Y. Kanai README.AUTOPILOT Notes on the "autopilot" feature, by Targacept, Inc. nomefile.upf Naming convention for UPF pseudopotentials The UPF format is described in ../upftools/UPF restart Describes the format of the new output data file INPUT_CP Input parameters for CP INPUT.HOWTO Hints on how to choose simulation parameters for CP 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 projection over atomic wfcs (projwave.x) INPUT_DOS Input parameters for density of state calculation (dos.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_PWCOND Input parameters for ballistic conductance (pwcond.x) ChangeLog ChangeLog for the Quantum-ESPRESSO suite after aug. 2004 NO LONGER UPDATED: use script "cvs2cl.pl" in the main directory to get an updated ChangeLog from CVS ChangeLog.pw ChangeLog before aug 2004 for PWscf ChangeLog.cp ChangeLog before aug 2004 for CP 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 users-guide.tex Documentation for the "atomic" pseudopotential generation code can be found in directory ../atomic_doc/ 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.