[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,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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