frequency calculation using CASPT2 ???

Posted by Joonghan Kim on February 08, 2007 at 03:05:09:

Is it impossible to perform frequency calculation using CASPT2 method in molcas 6.4 ???
I saw error message in MCKINLEY.

OpnFls: Wavefunction type:CASPT2
Illegal type of wave function!
McKinley can not continue

Joonghan Kim

Follow Ups:

• Re: frequency calculation using CASPT2 ??? Roland Lindh 10:19:57 2/08/07 (5)
  • Re: frequency calculation using CASPT2 ??? Joonghan Kim 14:00:17 2/08/07 (4)
    • Re: frequency calculation using CASPT2 ??? Roland Lindh 23:26:55 2/15/07 (3)
      • Re: frequency calculation using CASPT2 ??? Joonghan Kim 10:03:04 2/16/07 (2)
        • Re: frequency calculation using CASPT2 ??? Per Ake Malmqvist 15:54:16 2/17/07 (1)
          • Re: frequency calculation using CASPT2 ??? Joonghan Kim 11:20:10 2/20/07 (0)

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