[Pw_forum] high symmetry point missing in output of bands.x in

[Andrea Dal Corso]

On Thu, 2017-05-18 at 20:04 +0800, balabi wrote:
> 
> 
> Dear Andrea,
> 
> 
> Thank you so much for explanation. 
> 
> 
> gS-N-gS1 is indeed on the same line. 
> 
> 
> However, I don't understand your example of fcc. gG-K-X is not on the
> same line.  And I test it as below on diamond
> 
> 
> K_POINTS tpiba_b
> 3
> gG 20
> K 20
> X 1

In my example X was (1,1,0). The X that corresponds to the label is
(0,1,0). The two points are equivalent but to go from K to (0,1,0) the
path changes direction in K so the point K is shown. Going from K to
(1,1,0) the path does not change direction and K is not shown.


Andrea

> 
> the output of bands.x has 3 high-symmetry points. What is wrong?
> 
> 
> 
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Andrea Dal Corso                    Tel. 0039-040-3787428
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