---------- Forwarded message ---------- From: bhabya sahoo <[email protected]> Date: Thu, Dec 29, 2011 at 11:04 AM Subject: beta tin structure To: PWSCF Forum <pw_forum at pwscf.org>
i want the phonon dispersion curve for beta tin structure so i gave the positions of atoms as primitive tetragonal structure having coordinates 0 0 0, .5 0 .25 , .5 .5 .5, 0 .5 .75 like 4a whychoff positions (c/a=.546) so no of atoms is 4 in the unit cell so in phonon there will be 12 branches but i have seen 6 branches so how can i put my primitive tetragonal structure having two atoms in unitcell or in other way how can i give the input for beta tin structure b d sahoo reserch scholar mumbai -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20120102/55cb9cb5/attachment-0003.html
