[Pw_forum] nbnd

Paolo Giannozzi p.giannozzi at gmail.com
Wed Nov 1 16:57:49 CET 2017


On Wed, Nov 1, 2017 at 12:08 PM, B S Bhushan <ecebhushan at gmail.com> wrote:

does the *# of electrons* refer to valance electrons or the total number of
> electrons (core+valance) in the structure ?
>

valence electrons only

Paolo

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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