On Wed, Nov 1, 2017 at 12:08 PM, B S Bhushan <[email protected]> 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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