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In a related question: Indirect to direct band gap transition in SUPERCELLS it is illustrated that one just can't immediately tell from a supercell's bandstructure plot whether the bandgap is direct or indirect. A seemingly direct bandgap semiconductor, observed from the supercell's bandstructure plot, may be an indirect bandgap semiconductor in reality.

My question is can this ambiguity be resolved by unfolding the bandstructure back into the original cell?

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  • $\begingroup$ Have you figured this out now? Please update us! Are you still urgently or actively seeking an answer? $\endgroup$
    – Nike Dattani - No Free Time
    Commented Dec 19, 2023 at 20:14
  • $\begingroup$ Dear @NikeDattani thank you for your concern. Yes, I am still seeking an answer. I did ping Prof. Phil Hasnip (mattermodeling.stackexchange.com/questions/11580/…) when I created this question, but I think he did not see it. $\endgroup$
    – Sha
    Commented Dec 20, 2023 at 19:04

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