mirror of https://gitlab.com/QEF/q-e.git
74 lines
3.5 KiB
Plaintext
74 lines
3.5 KiB
Plaintext
Available documentation for the Quantum-ESPRESSO package in Doc/
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(additional documentation is available from the QE wiki:
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http://www.quantum-espresso.org/wiki/index.php/Main_Page)
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The following files are always present in the CVS repository:
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release-notes What is new in the current release + list of fixed bugs
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(only those found in some official release)
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user-guide.tex User guide
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developer-man.tex Developers' manual
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INPUT_Gamma Documentation of input data for the specialized phonon code
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(Gamma-only and q=0 phonons only) phcg.x
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INPUT_WFDD Input data doc for dynamics with Wannier functions (cp.x)
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INPUT_XSPECTRA INput data doc for X-ray adsorption spectra (xspectra.x)
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eps_man.tex Documentation for code epsilon.x, performing
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dielectric function calculation with RPA
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README.AUTOPILOT Notes on the "autopilot" feature, by Targacept, Inc.
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nomefile.upf Naming convention for UPF pseudopotentials
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The UPF format is described in the Quantum ESPRESSO wiki,
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in page "Unified_pseudopotential_format)xr"
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constraints_HOWTO.tex
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Documentation for constraints
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ChangeLog.old ChangeLog for the Quantum-ESPRESSO suite after aug. 2004
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NO LONGER UPDATED - see below for the updated version
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ChangeLog.pw ChangeLog before aug 2004 for PWscf
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ChangeLog.cp ChangeLog before aug 2004 for CP
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The following files are present in the released version
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The first two are obtained by typing "make log" in the root directory
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The second two are obtained using pdflatex
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ChangeLog Updated ChangeLog, text file
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ChangeLog.html As above, html file
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user-guide.pdf User guide, printable version
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developer-man.pdf Developers' manual, printable version
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The following files are present in the released version (obtained
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from the "helpdoc" utility: go into the ../doc-def/ directory, type
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"make all". Note that "tcl", "tcllib", "xsltproc" are needed)
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INPUT_*.* Description of input parameters (text and html) for:
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CP Car-Parrinello molecular dynamics code (cp.x)
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CPPP Car-Parrinello postprocessing (cppp.x)
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PW PWscf self-consistent code (pw.x)
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PP Postprocessing code (pp.x)
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BANDS Band reordering and plotting utility (bands.x)
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PROJWFC Projection over atomic wfcs (projwave.x)
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DOS Density of state calculation (dos.x)
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PH Phonon calculations (ph.x)
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GIPAW NMR chemical shifts with GIPAW (gipaw.x)
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Gamma Normal-mode calculations (phcg.x)
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D3 3rd-order energy derivatives (d3.x)
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PWCOND Ballistic conductance (pwcond.x)
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pw_export pw_export utility (pw_export.x)
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Documentation for the "atomic" pseudopotential generation code
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can be found in directory ../atomic_doc/
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All the material included in this distribution is free software;
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you can redistribute it and/or modify it under the terms of the GNU
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General Public License as published by the Free Software Foundation;
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either version 2 of the License, or (at your option) any later version.
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These programs are distributed in the hope that they will be useful, but
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WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
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or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License along
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with this program; if not, write to the Free Software Foundation, Inc.,
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675 Mass Ave, Cambridge, MA 02139, USA.
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