Nonadiabatic coupling calculations


I’d like to calculate nonadiabatic couplings between the singlet states.
However, the targeted states are obtained by different methods.
One is S1 state from TDDFT and the other is Sn state by CDFT which the spin constraints are applied.
I already optimized the geometries for each state and want to calculate nonadiabatic couplings between them.
In this situation, can I achieve my desire?

I think not. I can’t think of a way to do this at the level of the input file, and I’d be worried anyway about inconsistencies between the two levels of theory.

I understand. Thank you for answering my question. :slight_smile: