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.
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