[DFTB-Plus-User] normal modes displacement

[Bálint Aradi]

Dear Alessandro,

> Could you please confirm that the xyz displacements (after the string
> "atom_vector") are expressed in Angstroms?

The displacement vector for a given mode is normalized to one, so the
displacements after atom_vector are unitless. They only specify the
direction of the vibration, but not its amplitude.

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/

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