0a71b29096
Default behavior unchanged. If parameter kpts_to_write is given and if dm_type=='vasp', only the selected k points are written to the density correction GAMMA file. Can be used for running Vasp with symmetries, where Vasp requires only the density correction from the irreducible Brillouin zone. * For density correction in vasp, added option to select kpoints * Made docstring of calc_density_correction clearer |
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| c++ | ||
| deps | ||
| doc | ||
| fortran/dmftproj | ||
| packaging | ||
| python/triqs_dft_tools | ||
| share | ||
| test | ||
| .clang-format | ||
| .clang-tidy | ||
| .dockerignore | ||
| .gitignore | ||
| AUTHORS.txt | ||
| ChangeLog.md | ||
| CMakeLists.txt | ||
| COPYING.txt | ||
| Dockerfile | ||
| Jenkinsfile | ||
| LICENSE.txt | ||
| README.md | ||
| requirements.txt | ||
DFT_Tools - A TRIQS application for ab initio calculations
Copyright (C) 2011-2019: M. Aichhorn, L. Pourovskii, V. Vildosola and C. Martins Copyright (C) 2020: The Simons Foundation
- Documentation
You will find the documentation of this application under https://triqs.github.io/dft_tools/.
- Installation
The installation steps are described in https://triqs.github.io/dft_tools/2.1.x/install.html
- Version
You can find the version and release number of the application on the top of the CMakeLists.txt file in this directory.
- 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.