Gregor Kladnik
gregor.kladnik@gmail.com
First of all, thanks for the swift answer! Hm, I would really appreciate if you could send some sample input files. Thanks Alex!
Sincerely,
Gregor Kladnik
>Hi,
>you can try either to use rstrct keyword with the
>appropriate initial guess orbitals/reordering instructions
>or, more generally, very specific kind of casscf.
>Please let me know if you need sample input files.
>Regards,
>Alex Granovsky