mirror of https://gitlab.com/QEF/q-e.git
24a44e5cb1
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4788 c92efa57-630b-4861-b058-cf58834340f0 |
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BUGS | ||
ChangeLog | ||
ChangeLog.cp | ||
ChangeLog.pw | ||
INPUT_BANDS | ||
INPUT_CP | ||
INPUT_CPPP | ||
INPUT_D3 | ||
INPUT_D3.def | ||
INPUT_DOS | ||
INPUT_GIPAW | ||
INPUT_Gamma | ||
INPUT_LD1.def | ||
INPUT_PH | ||
INPUT_PH.def | ||
INPUT_PP | ||
INPUT_PP.def | ||
INPUT_PROJWFC | ||
INPUT_PROJWFC.def | ||
INPUT_PW | ||
INPUT_PW.def | ||
INPUT_PWCOND | ||
INPUT_WFDD | ||
INPUT_pw_export | ||
Makefile | ||
README | ||
README.AUTOPILOT | ||
README.helpdoc | ||
constraints_HOWTO.tex | ||
eps_man.tex | ||
helpdoc.schema | ||
input_xx.xsl | ||
nomefile.upf |
README
This is the available documentation for the Quantum-ESPRESSO package, in addition to what is available on the QE wiki (http://www.quantum-espresso.org/wiki/index.php/Main_Page): BUGS List of bugs fixed - only bugs that have been present in some "official" release are listed INPUT_* Description of input parameters for: INPUT_CP Car-Parrinello first-principle code (cp.x) INPUT_CPPP Car-Parrinello postprocessing (cppp.x) INPUT_PW PWscf self-consistent code (pw.x) INPUT_PP Postprocessing code (pp.x) INPUT_BANDS Band reordering and plotting utility (bands.x) INPUT_PROJWFC Projection over atomic wfcs (projwave.x) INPUT_DOS Density of state calculation (dos.x) INPUT_PH Phonon calculations (ph.x) INPUT_GIPAW NMR chemical shifts with GIPAW (gipaw.x) INPUT_Gamma Normal-mode calculations (phcg.x) INPUT_D3 3rd-order energy derivatives (d3.x) INPUT_PWCOND Ballistic conductance (pwcond.x) INPUT_pw_export pw_export utility (pw_export.x) INPUT_WFDD Dynamics with Wannier functions (cp.x) INPUT.HOWTO Hints on how to choose simulation parameters for CP with Car-Parrinello dynamics eps_man.tex Dielectric function calculation with RPA (epsilon.x) 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described in ../upftools/UPF constraints_HOWTO.tex ChangeLog ChangeLog for the Quantum-ESPRESSO suite after aug. 2004 NO LONGER UPDATED: use script "cvs2cl.pl" in the main directory to get an updated ChangeLog from CVS ChangeLog.pw ChangeLog before aug 2004 for PWscf ChangeLog.cp ChangeLog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 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.