[DFTB-Plus-User] Si with d orbital
Argo Nurbawono
argo.nurbawono at gmail.com
Mon Apr 7 12:55:27 CEST 2014
Dear all,
the Slater-Koster file for silicon (Si-Si.skf) always produce a direct
band gap because d orbital is missing.
Does anyone know how to get around this problem? Are there already
Slater-Koster that can handle this?
Thanks.
--
Regards,
Argo Nurbawono.
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