[Pw_forum] electrostatic potential
sridhu88 at gmail.com
Fri Mar 21 17:49:20 CET 2014
I think V_bare means the potential due to the nuclei and V_hartree is the
potential due to electrons. The units of the potential are in Ry.
On Fri, Mar 21, 2014 at 10:00 PM, DELLACA' Valentina (CRF) <
valentina.dellaca at crf.it> wrote:
> Dear all,
> In my understanding, to plot the electrostatic potential of a crystal one
> needs to perform a post processing run with pp.x, with plot_num=11. I was
> wondering the exact meaning of the V_bare and V_H potential, and in
> which units the results come out.
> Thanks a lot!
> Valentina Dellacà
> Group Materials Labs
> PA&CT - Materials CAE Development & Virtual Analysis
> Centro Ricerche Fiat S.C.p.A.
> Sede legale e amministrativa: Strada Torino, 50
> 10043 Orbassano (TO), Italia
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