[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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