2007-11-30 00:45:11 +08:00
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This is the available documentation for the Quantum-ESPRESSO package,
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in addition to what is available on the QE wiki
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(http://www.quantum-espresso.org/wiki/index.php/Main_Page):
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2004-08-10 00:35:51 +08:00
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2005-05-25 22:40:25 +08:00
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users-guide.tex User's Guide for Quantum-ESPRESSO
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Requires "html.sty" (from latex2html package): if
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not available, comment "\usepackage{html}" and
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uncomment "\def\htmladdnormallink#1#2{#1}" near the
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beginning of the file.
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2004-09-06 23:46:21 +08:00
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2005-10-13 21:36:51 +08:00
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README.AUTOPILOT Notes on the "autopilot" feature, by Targacept, Inc.
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nomefile.upf Naming convention for UPF pseudopotentials
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The UPF format is described in ../upftools/UPF
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2005-11-10 01:10:06 +08:00
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2005-09-26 23:56:23 +08:00
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INPUT_CP Input parameters for CP
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2005-05-25 22:40:25 +08:00
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INPUT.HOWTO Hints on how to choose simulation parameters for
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2005-09-26 23:56:23 +08:00
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CP with Car-Parrinello dynamics
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2005-05-25 22:40:25 +08:00
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INPUT_PW Input parameters for PWscf (pw.x)
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INPUT_PP Input parameters for postprocessing (pp.x)
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2005-08-30 23:11:00 +08:00
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INPUT_PROJWFC Input parameters for projection over atomic wfcs (projwave.x)
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INPUT_DOS Input parameters for density of state calculation (dos.x)
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2005-05-25 22:40:25 +08:00
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INPUT_PH Input parameters for phonon calculations (ph.x)
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INPUT_Gamma Input parameters for normal-mode calculations (phcg.x)
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INPUT_D3 Input parameters for 3rd-order derivatives (d3.x)
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INPUT_PWCOND Input parameters for ballistic conductance (pwcond.x)
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2005-11-10 01:10:06 +08:00
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2005-01-16 04:46:38 +08:00
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ChangeLog ChangeLog for the Quantum-ESPRESSO suite after aug. 2004
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2005-08-30 23:11:00 +08:00
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NO LONGER UPDATED: use script "cvs2cl.pl" in the main
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directory to get an updated ChangeLog from CVS
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2004-08-10 00:35:51 +08:00
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ChangeLog.pw ChangeLog before aug 2004 for PWscf
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2005-09-26 23:56:23 +08:00
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ChangeLog.cp ChangeLog before aug 2004 for CP
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2004-08-10 00:35:51 +08:00
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BUGS List of bugs fixed - only bugs that have been present
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in some "official" release are listed
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CREDITS Who did what
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2004-09-06 23:46:21 +08:00
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pwscf.png, pwscf.eps, democritos.png, democritos.eps
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2005-10-13 21:36:51 +08:00
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PWscf and DEMOCRITOS logos -- included from users-guide.tex
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Documentation for the "atomic" pseudopotential generation code
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can be found in directory ../atomic_doc/
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2004-09-06 23:46:21 +08:00
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2004-08-10 00:35:51 +08:00
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All the material included in this distribution is free software;
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you can redistribute it and/or modify it under the terms of the GNU
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General Public License as published by the Free Software Foundation;
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either version 2 of the License, or (at your option) any later version.
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These programs are distributed in the hope that they will be useful, but
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WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
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or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License along
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with this program; if not, write to the Free Software Foundation, Inc.,
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675 Mass Ave, Cambridge, MA 02139, USA.
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