[DFTB-Plus-User] Gold slater koster files including repulsive parameters

Woiczikowski, Paul Benjamin paul.woiczikowski at kit.edu
Mon May 21 23:57:26 CEST 2012


Dear DFTB+ User,

can anyone provide Au SK files that include also repulsive potentials for relaxation purposes? I would like to attach a molecule on a gold surface.

Cheers
Ben

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