[Pw_forum] is there a pseduo potential about the C Perdew-Burke-Ernzerhof (PBE) NC ?
Lorenzo Paulatto
paulatto at sissa.it
Fri Oct 10 14:55:55 CEST 2008
Wei Zhou ha scritto:
> I pseudo potential or Perdew-Burke-Ernzerhof (PBE) NC carbon
> potential.
Dear Wei Zhou,
there are several matching pseudopotentials in the library. Rememeber
that it is perfectly safe to mix norm-conserving (NC) and ultrasoft
pseudopotentials, as long as they use the same functional.
regards
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www: http://people.sissa.it/~paulatto/
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