When I am dealing with the reaction involved multi-reference character, I want to use casscf method as the high level calculation. Does pilgrim support casscf method.
Additionally, maybe I can directly change the high level energy calculation result in pilgrim? If so, how to operate specifically?
Dear David,
When I am dealing with the reaction involved multi-reference character, I want to use casscf method as the high level calculation. Does pilgrim support casscf method.
Additionally, maybe I can directly change the high level energy calculation result in pilgrim? If so, how to operate specifically?
Best regards, Haolong