[Wien] Need help; Can fold2Bloch unfold the band from K to K'?

Oleg Rubel orubel at lakeheadu.ca
Mon Feb 1 16:39:16 CET 2016


Am I understand correctly that you expect the K point (0 0 0.5) to transform into (-0.375 0 0.375) after unfolding?
What is the size of the supercell?

Oleg

> On Feb 1, 2016, at 10:32, Yongbeom Cho <jj2928 at naver.com> wrote:
> 
> Dear all,
>  
> I want to unfold the bandstructure from K to K' in fcc
>  (-0.375 0 0.375)   <= K
>   (0 0 0.5)    <= K'
>  
> Can fold2Bloch unfold this band?
>  
>  
>  
>  
> Best ragards,
> Yongbeom Cho
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