[DFTB-Plus-User] Fitting Potentials

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Tue Jun 26 08:34:04 CEST 2012


Hi,

> I have read the manual and did the dftb plus recipe tutorial and I still
> don't know how to do it.

 The repulsive fitting tools are so far not part of the distributed
package, as it requires quite a lot of experience to fit reasonable
repulsives.

  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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