[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





More information about the users mailing list