[Wien] basic query for band gap

[Dr. K. C. Bhamu]

Dear Prof Blaha and others users
I want any comment on below mentioned query.



Dear Users
> I was reading a paper "Vol 17 No 11, November 2008, Chinese Physics
> B, First-principle study of native defects in CuScO2 and CuYO2".
> In which, at the page no 3 paragraph 2 on right panel authors said that
>
> "For the previous calculation of several similar compounds, Yanagi et al
> [4] suggested that the *fundamental band gap of CuAlO2 was at Γ point*;
> Nie et al [3] suggested that the fundamental band gap of CuMO2(M = Ga, In)
> was at Γ point. *However their calculations show that the fundamental
> band gap of CuAlO2 is at point L instead of Γ point*".
>
> My simple query is that how a calculation differs by computed energy band
> gap diagram as the authors mentioned (highlighted region) on one side
> fundamental band gap of CuAlO2 is at Gamma point while simultaneously they
> said that calculations show that the band gap of CuAlO2 is at L point
> instead of gamma point.
>
> Any explanation?
>
> Sincerely
> Bhamu
>
>
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