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When PROJCAR is read it assigns the orbitals by their corresponding labels. These labels are now added to the dictionary 'proj_params'. Although they are not used currently they can be handy when it comes to identifying the character of the orbitals. Also, the order of orbital labels for p- and d-orbitals was changed to conform to the convention of the old PROCAR file. |
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| c | ||
| 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.