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mirror of https://github.com/triqs/dft_tools synced 2025-03-17 22:26:47 +01:00
Oleg E. Peil 66fac2f1bd Added preliminary PROJCAR parser to vaspio
This python-parser is a prototype of a future parser that will probably
be using only LOCPROJ (which is going to be modified).
At the moment, one has to use the first line of LOCPROJ to determine
the array dimensions and parse PROJCAR because it contains relevant information
on projectors (such as site and orbital character).

Note that in the previous implementation relying on the binary PLOCAR-file
the Fermi weights were taken from PLOCAR. In the current version of VASP
(>=5.4.1) the Fermi weights can read in from EIGENVAL.
2015-10-14 15:58:45 +02:00

Wien2TRIQS interface to Wien2k
Copyright (C) 2011-2013, M. Aichhorn, L. Pourovskii, V. Vildosola and C. Martins

1. Documentation

You will find the documentation of this application under
<http://ipht.cea.fr/triqs/applications/dft_tools/>.

2. Installation

The installation steps are described in
<http://ipht.cea.fr/triqs/applications/dft_tools/install.html>

3. Version

You can find the version and release number of the application on the top of
the CMakeLists.txt file in this directory.

4. License

This application 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 3 of the License, or (at your option) any
later version (see <http://www.gnu.org/licenses/>).

It is distributed in the hope that it 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.
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