[DFTB-Plus-User] Relaxation of SiNW
Bálint Aradi
balint.aradi at bccms.uni-bremen.de
Thu Oct 17 07:44:23 CEST 2013
>
> Dear Dr. Bálint Aradi
>
> Tanks for your response. I have used Si-Si.skf, Si-H.skf, H-Si.skf and
> H-H.skf from pbc-0-1.tar.gz in the website for relaxation of SiNW, but I
> faced to this error,Would you guide me to solve this problem?
Use pbc-0-3.
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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