3
0
mirror of https://github.com/triqs/dft_tools synced 2025-04-21 07:50:22 +02:00
Oleg E. Peil 67b78c1499 Added some debug output to plotools.py
Added output of density and overlap matrices to plotools.py.
If one defines a very large window (spanning all bands) one can
compare this output with the one produced by 'debug_density_matrix()'
in class ElectronicStructure.
For a small window, the overlap gives an idea of symmetry-related
degeneracies and of how strong the states are going to be renormalized
by the orthogonalization routine.
2015-10-16 18:10:48 +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.
Description
No description provided
Readme 87 MiB
Languages
Python 54.8%
Fortran 37.4%
Shell 5.7%
C++ 2.1%