thanks for replies > 510.2 cm-1 >this is the optical mode. All other zone-center modes of the sc lattice >do not correspond to zone-center modes of the fcc lattice.
could u please provide any information regarding method on how to find out zone-center modes calculated from *any supercell* that actually belongs zone-center modes of primitive unit cell. Karandeep Research Scholar Physics Department, IIT, Delhi -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121020/10c48f67/attachment.html
