## Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

** 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

This message read **510** times