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 <[email protected]> wrote: > Check manual¡ > > > ________________________________________ > De: [email protected] <[email protected]> en nombre de > Mojtaba Mirseraji <[email protected]> > Enviado: martes, 23 de junio de 2015 08:49 a. m. > Para: [email protected] > 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 > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
