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8a71cbe6b0
There was a mess with indices 'ib_min', 'ib_max' indicating the selected window. First of all their old names 'nb_min', 'nb_max' were confusing and because of that they were sometimes incorrectly used as the maximum size of the window and sometimes as a maximum band index. Now the convention is more clear: 'ib_min', 'ib_max' correspond to the minimum/maximum band indices (in terms of original VASP indices) and 'nb_max == ib_max - ib_min + 1' is the maximum number of bands within the window. |
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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 |