[DFTB-Plus-User] Slater-Koster files for SiO2

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Fri Nov 8 16:30:49 CET 2013

> Can I use Si-P-N-O-C-H Slater-Koster files in matsci for the crystaline
> silicon dioxide?

Yes, you can. You should turn on the d-orbitals in silicon if used in
silicon dioxide.

  Best regards,


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

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