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