[DFTB-Plus-User] Relaxation of SiNW
balint.aradi at bccms.uni-bremen.de
Mon Oct 21 18:09:13 CEST 2013
Dear Nadia Salami,
> Thanks for your swift response.
> I have used pbc-0-3 and pbc-0-2, but I faced to this error, I don't know
> to solve this problem. Would you gide me?
Sorry, but I can not reproduce your problem. Using the distributed
dftb+negf binary and SiNW example, I get no errors with pbc-0-3.
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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