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
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
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
