[Pw_forum] piezoelectric constant

[GAO Zhe]

Dear Alex:
I think you can try Berry Phase implemented in the program pw.x.
Reference:
David Vanderbilt, Berry-phase theory of proper piezoelectric response, J. Phys. Chem. Solids, 61 (2000), 147


--
GAO Zhe
CMC Lab, Materials Science & Engineering Department,
Seoul National University, South Korea
 

At 2012-08-11 13:47:20,"Alex Mariani" <mariani.alex at rocketmail.com> wrote:







Dear all
Iwantto calculatethepiezoelectric constant for PbTio3.
Howdo using the QE code?
What istheprocedure?
Pleasehelpme?


best regards
Alex Mariani


Magadh University

Department of Physics


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