Basis set of Au

Dong xiand... at gmail.com
Fri Oct 16 09:35:14 UTC 2009


Hi all,


I want to simulate Au ions. And I found some potential in
GTH_POTENTIALS file, like
Au GTH-PBE-q11
Au GTH-PBE-q19.
But there is no basis set for Au in the package. Does anyone have
generated one ?

Thanks.

cheers,
Liu



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