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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. |
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| c/plocar_io | ||
| doc | ||
| fortran/dmftproj | ||
| python | ||
| test | ||
| CMakeLists.txt | ||
| dft_dmft_cthyb.py | ||
| README.txt | ||
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.