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CP2K_INPUT /
FORCE_EVAL /
PROPERTIES /
ET_COUPLING /
PROJECTION /
BLOCK /
PRINT
MO_COEFF_ATOM {Integer} ... |
|
Print out MO coeffiecients on given atom | |
This keyword can be repeated and it expects a list of integers. |
MO_COEFF_ATOM_STATE {Integer} ... |
|
Print out MO coeffiecients of specific state | |
This keyword can be repeated and it expects a list of integers. |
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