[DFTB-Plus-User] Slater-Koster files for SiO2
sn
sebnenon at yahoo.fr
Fri Nov 8 11:47:30 CET 2013
Dear Nadia,
I think it would be better to use the PBC set for cristalline SiO2
If you need, there is a description of the parameters sets and their use, together with the reference publications at:
http://www.dftb.org/parameters/download/
Best regards
S. Nénon
Le 08 Nov 2013 à 11:19, n.salami at srbiau.ac.ir a écrit :
> Dear users,
>
> Can I use Si-P-N-O-C-H Slater-Koster files in matsci for the crystaline silicon dioxide?
>
> Thanks in advance,
> Best Regards,
>
> Nadia Salami
>
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