[DFTB-Plus-User] Frequencies and Zero-Point Energy

[Bálint Aradi]

Dear Natalia,

you would have to use the modes tool to process the hessian and
calculate the vibrational frequencies. See the manual for further
details. Also, we have an example input file for modes on the
documentation page on dftbplus.org.

  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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