Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

Dawid
dawid.grabarek@pwr.edu.pl

I want to use molden to view orbitals from MCSCF calculations.
What I get however when I type in

molden firefly.out

are all doubly occupied and active orbitals. Both natural and optimized
orbitals were punched to output. They are also present in PUNCH file.

So how can I view the unoccupied ones? If I perform SCF calculations
I can see both occupied and virtual orbitals with molden.

Best wishes,
Dawid