quantum-espresso/Doc

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                 NO LONGER UPDATED: use script "cvs2cl.pl" in the main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.