[CP2K-user] [CP2K:17517] Basis sets for Hafnium atoms

Yosi Kratish yosi87212 at gmail.com
Sat Aug 20 03:57:46 UTC 2022


Hello,
I am new to CP2K, and I am trying to run a geometry optimization DFT 
calculation for a molecule that has Hafnium elements. I searched online and 
could not find a basis set for Hafnium. Can somebody please share a 
suitable basis set for Hf?
In addition, what are the recommended places to search for basis sets for 
other elements?
Best, Yosi

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