Re: Frequencies

Posted by Roland Lindh on December 11, 2000 at 22:45:22:

In Reply to: Frequencies posted by M Straka on December 07, 2000 at 14:13:27:

Version 4.1 did support numerical frequencies. In
case of symmetry only the frequencies of the total
symmetric displacements were computed. I do not know
what went wrong in your particular case. Since the
release of MOLCAS 5.0 we are no longer able to support
any of the earlier version, due to limited resources.
Version 5.0 comes with analytical frequencies and we
recommend you to aquire the new version. As a 4.1
user you are entitled to a significant reduction in
the prices of the package.

Roland Lindh

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: Version 4.1 did support numerical frequencies. In : case of symmetry only the frequencies of the total : symmetric displacements were computed. I do not know : what went wrong in your particular case. Since the : release of MOLCAS 5.0 we are no longer able to support : any of the earlier version, due to limited resources. : Version 5.0 comes with analytical frequencies and we : recommend you to aquire the new version. As a 4.1 : user you are entitled to a significant reduction in : the prices of the package. : Roland Lindh