[Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa?

Paolo Giannozzi giannozz at democritos.it
Tue Nov 29 09:36:25 CET 2011

The development version of QE can translate GTH
(Goedecker-Teter-Hutter) pseudopotentials from CPMD
to UPF format. GTH PPs are quite hard so they should
work well at high pressures. See here:
May or may not work. Note that you may need to
manually add the pseudo-orbitals to the PP_PSWFC section

Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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