[CPMD-list] Screw Axis

Eung-Gun Kim eunggun.kim at chemistry.gatech.edu
Wed Jun 22 07:15:05 CEST 2005


Dear List Subscribers,

I am trying to symmetrize the geometry of a molecule whose only symmetry element
is a screw axis.  SYMMETRIZE COORDINATES (v3.9.1) takes one of the 32 point
groups as input, which does not seem sufficient for my case.  Would there be a
way to do the task?  Thanks very much for reading.

Best regards,

EG Kim



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