[Pw_forum] IFCs and Difference between unit cell and supercell

Stefano Baroni 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.
> Karandeep
> Research Scholar
> Physics Department,
> IIT,  Delhi
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