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sanya
sanya@photonics.ru

I am going to perform some EFP calculations and I have some questions:

(1) It is easy to set fragment geometry in internal coordinates (in particular, z-matrix). Is it possible to use "mixed input", that is, cartesian for quantum part and z-matrix (relative to the atoms of the quantum part) for fragments?

(2) Is it necessary to "turn off" fragment polarizabilities when calculating TDDFT spectra with EFP? If yes, how can I do this?

Thank you all in advance.