[Pw_forum] How to calculate Born effective charges ?

rauleg rauleg at unam.mx
Tue Jun 23 16:42:10 CEST 2015


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
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://pwscf.org/mailman/listinfo/pw_forum




More information about the users mailing list