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Once you mapped the high symmetry points from primitive cell to the super cell, you need to plot the downfolded bands.

As we know in DFT output of band structure calculation we get a set of E vs k data. Here, energy values are give w.r.t corresponding k-point distances. So, how to plot these energy values w.r.t the downfolded k-points?

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    $\begingroup$ Great answer on band folding including visual examples here $\endgroup$ Oct 7, 2022 at 22:47
  • $\begingroup$ @leopold.talirz are you able to turn that comment into an answer? If so I can delete my Community Wiki post, which is only written to remove this question from the unanswered queue (the OP hasn't signed in for 7 months). $\endgroup$ Jun 11, 2023 at 16:39

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It has been suggested by Leopold Talirz that a great answer is here.

If anyone wants to write a more detailed answer, please do so and I will delete this Community Wiki answer.

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