Pseudopotentials for Sb in CP2K
15 views
Skip to first unread message
Mattia Perrone
Sep 26, 2025, 8:51:40 AM (5 days ago) Sep 26
to cp2k
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).
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
Reply all
Reply to author
Forward
0 new messages