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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120811/eec99524/attachment.htm