[Pw_forum] nbnd and semicore in PP

Lorenzo Paulatto paulatto at sissa.it
Mon Sep 8 16:28:19 CEST 2008


ski2 at mail.uh.edu ha scritto:
> Dear All,
>
> I am wondering if I use PP containing semicore states in valence 
> state, do I need to count the bands of the semicore states and add 
> into "nbnd"?
Yes, you have to.

regards

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/




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