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CALC
The sub key Calc
controls what is actually calculated.
The following options are available (Default ALL):
All Implies all of the other options to this key.
Para The paramagnetic part
Dia The diamagnetic part
FC The Fermi-contact part in case of the Pauli Hamiltonian
SO The Fermi-contact part in case of the ZORA Hamiltonian
Note that in case of the ZORA Hamiltonian default the scaled ZORA method is used.
If the sub key Calc is used, but not the option ALL, then the plain ZORA method is used.
For chemical shifts, only compare results with the same options.
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