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Matrices parsed by the config-parser are interpreted as transformation matrices for each ion in the shell. If only one matrix is defined (by TRANSFORM) it is copied for every ion. Whether a matrix is real or complex is derived from its dimensions consistently with other parameters of the shell (such as 'nm = 2*l + 1'). Transformation matrices are stored as complex in any case. |
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.. | ||
converters | ||
vasp | ||
__init__.py | ||
.gitignore | ||
clear_h5_output.py | ||
CMakeLists.txt | ||
sumk_dft_tools.py | ||
sumk_dft.py | ||
symmetry.py | ||
trans_basis.py | ||
update_archive.py |