mirror of https://gitlab.com/QEF/q-e.git
5e9087287d
seems to cause trouble quite often git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6317 c92efa57-630b-4861-b058-cf58834340f0 |
||
|---|---|---|
| .. | ||
| ChangeLog.cp | ||
| ChangeLog.old | ||
| ChangeLog.pw | ||
| INPUT_CP | ||
| 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_* Documentation of inpout data for:
INPUT_CP Car-Parrinello first-principle code (cp.x)
INPUT_WFDD Dynamics with Wannier functions (cp.x)
INPUT_XSPECTRA 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 wiki, under
.../Unified_pseudopotential_format)
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NO LONGER UPDATED - see below for the updated version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:
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/
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.