[Pw_forum] Units of Charge Density Surfaces Prepared by pp.x as xsf Input to XCrySDen

Paolo Giannozzi giannozz at democritos.it
Wed Oct 3 13:38:04 CEST 2012

AFAIK, the charge density is in units of (Bohr radii)^{-3}. Its integral
over the supercell yields the number of valence electrons. I don't
think this is converted anywhere to other units. I hpoe so, at least.

Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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