mirror of https://gitlab.com/QEF/q-e.git
ad1c08c29b
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7756 c92efa57-630b-4861-b058-cf58834340f0 |
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| .. | ||
| 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"
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NO LONGER UPDATED - see below for the updated version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-X.Y Updated ChangeLog for v.X.Y, text file
ChangeLog-X.Y.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_*.txt,html 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)
NEB Nudged Elastic Band (NEB) code (neb.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)
D3 3rd-order energy derivatives (d3.x)
LD1 atomic pseudopotential generation code (ld1.x)
PWCOND Ballistic conductance (pwcond.x)
pw_export pw_export utility (pw_export.x)
More 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.