[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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