[DFTB-Plus-User] Background charge
aradi at uni-bremen.de
Tue Apr 5 08:29:30 CEST 2016
> I'm wondering if you let me know if DFTB+ applies a background charge
> for the solid state calculations of charged systems? If so, is there any
> keyword to turn it on?
That happens automatically in the Ewald summation, as otherwise you
couldn't periodic systems with charges at all. There is no extra keyword
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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