[CP2K-user] [CP2K:14899] GTH-BLYP pseudopotential for Sn?

Krack Matthias (PSI) matthi... at psi.ch
Tue Mar 9 16:20:46 UTC 2021

Hi Tian

I don’t think there is anything special about these PPs, but nobody has yet bothered to create them.


Von: cp... at googlegroups.com <cp... at googlegroups.com> Im Auftrag von Hua Tian
Gesendet: Montag, 8. März 2021 14:37
An: cp2k <cp... at googlegroups.com>
Betreff: [CP2K:14899] GTH-BLYP pseudopotential for Sn?

Dear CP2K developers,
  In the GTH_POTENTIALS file, some elements such as Sn (as well as Nb, Hf, etc) do not have GTH-BLYP pseudopotentials. I was wondering if there was something wrong when you generated the GTH-BLYP pseudopotentials for these elements?
Tian Hua
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