[CP2K-user] [CP2K:21862] Pseudopotentials for Sb in CP2K
Mattia Perrone
pmattia20 at gmail.com
Fri Sep 26 12:48:25 UTC 2025
Hello everyone,
we are setting up simulations of SbF₅/HF mixtures, and I noticed that the
GTH-PBE pseudopotential for antimony comes in three variants, each one with
different numbers of valence electrons treated (5, 15, or 23).
Does anyone have experience with Sb in CP2K and could advise which of these
pseudopotentials is most appropriate/recommended for this type of system?
thank you very much for your support!
Mattia P
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