Re: state averaging in RASSCF

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Posted by Luis Seijo on September 27, 1999 at 11:43:33:

In Reply to: Re: state averaging in RASSCF posted by Anders Bernhardsson on September 21, 1999 at 18:08:10:

I thought that the AVERAGE option is used to do specifically what you want.. It can be used to average pi densities of linear molecules in C2v symmetry.

However I do not know how to average delta densities when they come in symmetry blocks 1 (together with sigma) and 4 (alone); I think
it cannot be done.

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