[CP2K-user] [CP2K:18864] basis-set
ling chen
ling.chen at adelaide.edu.au
Tue May 30 11:16:09 UTC 2023
Dear Experts,
I have a question and would like to seek your assistance. I am trying to
use the Pt GTH-PBE-q10 (note: 10 valence electrons instead of 18) from the
GTH_POTENTIALS with the basis-set of DZVP-MOLOPT-SR-GTH, but I encountered
the following error: "Basis-set and pseudo-potential of atomic kind 'Pt'
were optimized for different valence electron numbers." How can I find an
appropriate basis-set that matches Pt with 10 valence electrons?
Kind Regards,
Ling Chen
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