question on spin density matrix

Jussi Eloranta eloranta at
Thu Feb 24 15:32:33 GMT 2000

Dear Sir,

I have looked at cilsdm.f and noticed that this could evaluates
spin density matrix for (MR)CI wavefunctions. Is it possible to
save this spin density matrix? (in similar fashion to dm command)

I can see that this was implemented mainly for spin-orbit calculations
so there may something that I am not aware of.

Best regards,

Jussi Eloranta
Department of Chemistry
Univeristy of Jyvaskyla

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