[Pw_forum] Unit of charge density

[Paolo Giannozzi]

Dong-Hee Lim wrote:

> I was just wondering what unit of charge density is used in Quantum  
> Espresso and Xcrysden viewer.

the viewer just visualizes. Quantum-Espresso uses atomic units
(Rydberg for PWscf, Hartree for CP, unfortunately). The charge
density is not multiplied by "e" if I remember correctly, so it
has the dimensions of 1/V, i.e. 1/(bohr radii)^3

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy