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** Printing out the energy of all states during SA-MCSCF geometry optimization **
GrEv

grevgen13@gmail.com

Hello,I wonder if it is possible to print out the energy of all states during a SA-MCSCF geometry optimization. For example, I am doing a SA2-MCSCF geometry optimization, i.e. two states are calculated with MCSCF with equal weights, optimizing geometry for the second state. How can I see the MCSCF energy for the first state? Would the "npflg" option work here? If yes, which value should one set up?

Many Thanks!

Evgeniy

Thu Feb 4 '16 9:35pm

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