Firefly and PC GAMESS-related discussion club

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

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

Alex Granovsky


see $mcscf group/npflg keyword

Alex Granovsky

On Mon Dec 7 '15 12:39pm, GrEv wrote
>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,

[ Previous ] [ Next ] [ Index ]           Fri Dec 11 '15 11:54pm
[ Reply ] [ Edit ] [ Delete ]           This message read 466 times