[DFTB-Plus-User] Si-O and O-Si in pbc are not the same.
Argo Nurbawono
argo.nurbawono at gmail.com
Mon Apr 14 12:06:52 CEST 2014
Dear all,
in the pbc Slater-Koster directory, I am confused that Si-O.skf is not
the same as O-Si.skf. Are there meant to be 2 different sets?
The polynomials coefficients are different, but the repulsive parts seem
to be the same.
Thanks.
--
Regards,
Argo Nurbawono.
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