I sent the figure to your e-mail that includes what I'm saying.

 

My structure is 2:2:2.

 

I can get the band structure from G to L or G to X.

I set the vector

 

(0 0 -1/2)

(0 0 0)

(0 0 1/2)

(1/2 1/2 0)

(-1/2 -1/2 0)

 

But, I can't get the band structure from W to L or W to X with fold2Bloch.

I set the vector

 

(1/4 1/2 3/4) W

(0 1/2 1/2) X

(-1/4 1/2 1/4) W

(0 0 0) G

(1/4 -1/2 -1/4) W

(-1/4 -1/2 -3/4) X

(1/4 1/2 3/4) W

(0 0 1/2) L

(0 0 -1/2) L

(0 -1/2 -1/2) X

(0 1/2 1/2) X

(0 0 1/2) L

 

When I try to unfold it, W to L and W to X band structure eliminated.

What is the problem?

 

 

 

Sincerely yours,

Yongbeom Cho

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