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Re: WFN 2 Molden

dummy@example.com (sobereva) — Thu, 18 Jul 2019 15:32:07 +0000

It is impossible to convert wfn file to molden file, because in principle, molden file contains more information than wfn file, as shown in Section 2.5 of Multiwfn manual

Re: WFN 2 Molden

dummy@example.com (KrisR) — Thu, 18 Jul 2019 12:36:32 +0000

hmm... I think that table in chapter 2.5 clears my question

WFN 2 Molden

dummy@example.com (KrisR) — Thu, 18 Jul 2019 12:32:28 +0000

I'm trying to convert wfn-file to molden input.
However I'm getting following error "This function works only when input file contains basis function information".
Is it at all possible?

best regards