[Pw_forum] IFCs and Difference between unit cell and supercell
baroni at sissa.it
Sun Oct 21 21:25:37 CEST 2012
Eigenmode inspection ??? SB
Stefano Baroni, Trieste -- swift message written and sent on the go
On 20/ott/2012, at 20:03, karan deep <karandeepster at gmail.com> wrote:
> 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.
> Research Scholar
> Physics Department,
> IIT, Delhi
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