mirror of https://gitlab.com/QEF/q-e.git
d5a4b5c192
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7551 c92efa57-630b-4861-b058-cf58834340f0 |
||
---|---|---|
.. | ||
ChangeLog.cp | ||
ChangeLog.old | ||
ChangeLog.pw | ||
INPUT_Gamma | ||
INPUT_WFDD | ||
INPUT_XSPECTRA | ||
Makefile | ||
README | ||
README.AUTOPILOT | ||
constraints_HOWTO.tex | ||
democritos.pdf | ||
democritos.png | ||
developer_man.tex | ||
eps_man.tex | ||
nomefile.upf | ||
quantum_espresso.pdf | ||
quantum_espresso.png | ||
release-notes | ||
user_guide.tex |
README
Available documentation for the Quantum-ESPRESSO package in Doc/ (additional documentation is available from the QE wiki: http://www.quantum-espresso.org/wiki/index.php/Main_Page) The following files are always present in the CVS repository: release-notes What is new in the current release + list of fixed bugs (only those found in some official release) user-guide.tex User guide developer-man.tex Developers' manual INPUT_Gamma Documentation of input data for the specialized phonon code (Gamma-only and q=0 phonons only) phcg.x INPUT_WFDD Input data doc for dynamics with Wannier functions (cp.x) INPUT_XSPECTRA INput data doc for X-ray adsorption spectra (xspectra.x) eps_man.tex Documentation for code epsilon.x, performing dielectric function calculation with RPA README.AUTOPILOT Notes on the "autopilot" feature, by Targacept, Inc. nomefile.upf Naming convention for UPF pseudopotentials The UPF format is described in the Quantum ESPRESSO wiki, in page "Unified_pseudopotential_format)xr" constraints_HOWTO.tex Documentation for constraints ChangeLog.old ChangeLog for the Quantum-ESPRESSO suite after aug. 2004 NO LONGER UPDATED - see below for the updated version ChangeLog.pw ChangeLog before aug 2004 for PWscf ChangeLog.cp ChangeLog before aug 2004 for CP The following files are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 The first two are obtained by typing "make log" in the root directory The second two are obtained using pdflatex ChangeLog Updated ChangeLog, text file ChangeLog.html As above, html file user-guide.pdf User guide, printable version developer-man.pdf Developers' manual, printable version The following files are present in the released version (obtained from the "helpdoc" utility: go into the ../doc-def/ directory, type "make all". Note that "tcl", "tcllib", "xsltproc" are needed) INPUT_*.* Description of input parameters (text and html) for: CP Car-Parrinello molecular dynamics code (cp.x) CPPP Car-Parrinello postprocessing (cppp.x) PW PWscf self-consistent code (pw.x) PP Postprocessing code (pp.x) BANDS Band reordering and plotting utility (bands.x) PROJWFC Projection over atomic wfcs (projwave.x) DOS Density of state calculation (dos.x) PH Phonon calculations (ph.x) GIPAW NMR chemical shifts with GIPAW (gipaw.x) Gamma Normal-mode calculations (phcg.x) D3 3rd-order energy derivatives (d3.x) PWCOND Ballistic conductance (pwcond.x) pw_export pw_export utility (pw_export.x) 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.