It used to be coded as post processing of the Phonon code but not any more. It should be possible to compute the change in macroscopic polarization induced by a deformation by the Berry phase approach. Or calculate the stress induced by a finite electric field [see e.g. Umari, Pasquarello PRL 89, 157602 (2002)]
stefano On 07/07/2015 15:42, Mojtaba Mirseraji wrote: > Dear ESPRESSO users and developers > > I want to know how to calculate piezoelectric constants (d33, d31, d15, ...) ! > 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, Mojtaba Mirseraji <quantum.pw...@gmail.com> wrote: >> Dear ESPRESSO users and developers >> >> I want to know how to calculate piezoelectric constants (d33, d31, d15, ...) >> ! >> 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@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
