[Pw_forum] band structure
Stefano de Gironcoli
degironc at sissa.it
Tue Jun 10 10:16:49 CEST 2008
dear YC Cheng
程迎春 wrote:
>
> Can you see which FCC k points are *folded* into the SC gamma point?
>
>
> Sorry, I can't see which FCC k points are folded into the SC gamma
> point. I failed to find the relationship of the BZ between FCC and SC,
> because I can't put the two BZ with the same Gamma. Is there any way
> to find the folded k points?
write down the general plane wave |PW> as a |k_FCC + G_FCC> and also as
|k_SC + G_SC>... and see which k_FCC's correspond to a given k_SC...
that amounts to understand which G_SC are also G_FCC and which not.
hope this helps.
stefano
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