[DFTB-Plus-User] dispersion correction during geometry optimization

[Bálint Aradi]

> 
> When the force(gradient) is calculated during geometry relaxation, is the gradient for dispersion energy also calculated?

Forces are also calculated, sure.

  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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