[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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