Mulliken spin for CASSCF

Posted by Mihai Surducan on April 13, 2014 at 09:06:57:

I have performed a CASSCF calculation on a S=0 system. Unfortunately the prsp keyword doesn't print out any spin densities - they are all 0 - although I guess it should, based on the printed CSFs. It works just fine for similar systems with S=1/2 or S=1.

Thanks in advance.

Follow Ups:

• Re: Mulliken spin for CASSCF Steven 09:36:37 4/14/14 (2)
  • Re: Mulliken spin for CASSCF Mihai Surducan 15:23:00 4/14/14 (1)
    • Re: Mulliken spin for CASSCF Steven 15:24:34 6/16/14 (0)

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