[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/





More information about the users mailing list