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There are flat bands in unfolded band structure of supercell structure (K-paths are not recognized well) #49

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Douwz opened this issue Apr 16, 2024 · 3 comments

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@Douwz
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Douwz commented Apr 16, 2024

I calculated the unfolded band structure of Sb2Si2Te6 supercell with pymatgen k-path. There are some flat bands between high symmetry points when I plot the unfolded band structure without atom projections, but the unfolded band structure becomes normal when I plot it with atom projections.
band

@zhubonan
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Seems like some kind of bug to me... Could you please provide the .json file containing the spectral weights?

@Douwz
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Douwz commented Apr 18, 2024

Yeah.
easyunfold.json

@zhubonan
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Resolved via #51

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