[DFTB-Plus-User] (no subject)

[Bálint Aradi]

Dear Veerpal Kaur,

> When i turned SCC on, geometry did not converge...
> Sir i used the "As-S", "S-As" and "As-As" slater koster files from
> "hyb-0-1" parameter set  and "S-S" file from "3ob-2-1" parameter set.

You definitely should not mix various parameter sets. The hyb-0-1 is
only compatible with the mio-set as stated on the website. And the mio
and the hyb-0-1 sets are SCC sets, so you need SCC=Yes.

  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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