mirror of https://gitlab.com/QEF/q-e.git
5100a1accc
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4919 c92efa57-630b-4861-b058-cf58834340f0 |
||
---|---|---|
.. | ||
BUGS | ||
ChangeLog.cp | ||
ChangeLog.old | ||
ChangeLog.pw | ||
INPUT_CP | ||
INPUT_Gamma | ||
INPUT_WFDD | ||
Makefile | ||
README | ||
README.AUTOPILOT | ||
constraints_HOWTO.tex | ||
eps_man.tex | ||
nomefile.upf |
README
This is the available documentation for the Quantum-ESPRESSO package. The following files are always present in the CVS repository: BUGS List of fixed bugs - only bugs that have been present in some "official" release are listed 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in ../upftools/UPF constraints_HOWTO.tex ChangeLog.old ChangeLog for the Quantum-ESPRESSO suite after aug. 2004 NO LONGER UPDATED: use script "cvs2cl.pl" in the main directory to get an updated ChangeLog from CVS ChangeLog.pw ChangeLog before aug 2004 for PWscf ChangeLog.cp ChangeLog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 The following files are present in the released version and are obtained from the CVS repository by typing "make log" in the root directory : ChangeLog Updated ChangeLog, text ChangeLog.html As above, html The following files are present in the released version and are downloaded from the QE wiki: http://www.quantum-espresso.org/wiki/index.php/Main_Page which also contains more documentation: user_guide.html User guide, from the wiki developer_man.html Developers'manual, from the wiki The following files are present in the released version and are obtained from the "helpdoc" utility: go into the doc-def/ directory, type "make all" INPUT_*.* Description of input parameters (text and html) 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) Documentation for the "atomic" pseudopotential generation code can be found in directory ../atomic_doc/ Documentation for the W90 Wannier code can be found in W90/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.