[Pw_forum] piezoelectric constant

2012-08-11 Thread GAO Zhe
--- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120811/eec99524/attachment.htm

[Pw_forum] zns/zno surface

2012-08-11 Thread Alexey Akimov
Dear Amin, If you want to saturate bottom (and maybe even top) sulfur/oxygen atoms I would try to put hydrogens on them. This way you can localize electron density on the sulfur/oxigen atoms and avoid dangling bonds. In reality you of course will not see unsaturated O/S atoms on the surface - t

[Pw_forum] Fwd: problem of Tc calculation in electron phonon coefficents

2012-08-11 Thread bhabya sahoo
NaN NaN NaN NaN NaN NaN 14.9246 NaN NaN NaN NaN NaN NaN NaN NaN NaN NaN 15. NaN NaN NaN NaN NaN NaN NaN NaN NaN NaN B sahoo barc mumbai -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120811/6c9a5759/attachment-0001.htm