Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 


How to output info on CSF decomposition of the states during SA-MCSCF geometry optimization

GrEv
grevgen13@gmail.com

Dear All,

I wonder how one can make Firefly output information on CSF decomposition of the states  at each point of SA-MCSCF geometry optimization (i.e. the same info as at a single point calculation)? Thanx!

Best wishes,
Evgeniy

[ Previous ] [ Next ] [ Index ]           Mon Dec 7 '15 12:39pm
[ Reply ] [ Edit ] [ Delete ]           This message read 678 times