[Pw_forum] electrostatic potential

Sridhar Sadasivam 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.
Sridhar
Purdue University


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
>
>
>
> 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
> Tel  +39 011 9083138
> Fax +39 011 9083666
>
> www.crf.it
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140321/822836db/attachment.html>


More information about the users mailing list