Re: MOLDEN input for UHF


[ Molcas user's WWWBoard ]

Posted by Sergiu on April 10, 2006 at 17:02:22:

In Reply to: MOLDEN input for UHF posted by Pawel Wielgus on April 05, 2006 at 16:58:16:

It could be that you are using more than f functions in your basis sets, in which case the molden file is not generated at all, check the output, there should be a warning, at least in rasscf there is.


Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]