[Pw_forum] How to calculate Born effective charges ?

Mojtaba Mirseraji quantum.pwscf at gmail.com
Tue Jul 7 15:41:58 CEST 2015


Dear ESPRESSO users and developers

I want to know how to calculate Born effective charges for all ions and atoms !
Do you have any good paper that explain them step by step and easily?

Regards

Mojtaba Mirseraji
Ph.D. Candidate
Physics Department
Arak Univ.
I.R.IRAN

On 6/23/15, rauleg <rauleg at unam.mx> wrote:
> Check manual¡
>
>
> ________________________________________
> De: pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> en nombre de
> Mojtaba Mirseraji <quantum.pwscf at gmail.com>
> Enviado: martes, 23 de junio de 2015 08:49 a. m.
> Para: Pw_forum at pwscf.org
> Asunto: [Pw_forum] How to calculate Born effective charges ?
>
> Dear ESPRESSO users and developers
>
> I want to know how to calculate Born effective charges for all ions and
> atoms !
> Do you have any good paper that explain them step by step and easily?
>
> Regards
>
> Mojtaba Mirseraji
> Ph.D. Candidate
> Physics Department
> Arak Univ.
> I.R.IRAN
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>
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