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![]() There was an inconsistency in the convention on the position of the subarray corresponding to projectors within the selected window. In some cases the subarray was defined from 0 to ib_max, in other cases it was from 'ib1 - ib_min' to 'ib2 - ib_min'. Now the global convention is that the projectors for a given window are stored in a slice '0:ib_max', where 'ib_max = ib2 - ib1 + 1'. |
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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 |