[DFTB-Plus-User] Where could I get the script "band2dat"?

[Bálint Aradi]

Dear Tokoyama,

> Second Question
> Is "Total forces" of DFTB+(in detailed.out) analytic force or numerical force?
> 

 Does it really matter? Most components are analytical, derivatives of
the non-scc matrix and overlap elements are done by numerical derivation.

 Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


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