Re: state averaging in RASSCF

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Posted by Anders Bernhardsson on September 21, 1999 at 18:08:10:

In Reply to: state averaging in RASSCF posted by D. M. Hirst on July 27, 1999 at 16:03:06:

: Is it possible to do state averaging over states of different symmetry
: e.g. over sigma and pi states for linear molecules so that one can use
: a common set of orbitals in a subsequent CI calculation? I don't see
: mention of this in the manual. The SYMMETRY directive implies that one
: can only consider one symmetry.


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