[Pw_forum] charge density unit
Mohamad Moadeli
mohammad.moaddeli at gmail.com
Wed Jul 15 22:14:58 CEST 2015
Dear all,
I searched the forum for charge density unit and I found:
===========================================================
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
===========================================================
Is it still valid in espresso-5.1.1 ?
Best regards,
Mohammad Moaddeli
Shahid Chamran University of Ahvaz
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