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/
