[Pw_forum] Question about electron (pseudo-)charge density calculations in QE

Paolo Giannozzi p.giannozzi at gmail.com
Fri May 27 22:24:08 CEST 2016


On Fri, May 27, 2016 at 7:35 PM, reza vatan <rezavatan64 at gmail.com> wrote:

> Another question: what's the unit of electrostatic potential energy that
> pp.x calculate?

Unless otherwise specified, everything is in Rydberg atomic units

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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