Re: Is it possible to calculate vib. freq. in SA-CASSCF???


[ Molcas user's WWWBoard ]

Posted by Roland Lindh on September 12, 2007 at 21:31:52:

In Reply to: Is it possible to calculate vib. freq. in SA-CASSCF??? posted by Joonghan Kim on September 08, 2007 at 02:40:20:

Hi,
this can only be done numerically using the slapaf module.

-roland


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 ]