mirror of
https://github.com/triqs/dft_tools
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67b78c1499
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. |
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.. | ||
converters | ||
vasp | ||
__init__.py | ||
clear_h5_output.py | ||
CMakeLists.txt | ||
sumk_dft_tools.py | ||
sumk_dft.py | ||
symmetry.py | ||
trans_basis.py | ||
update_archive.py |