[QE-users] Band unfolding code recommendations

[Dominik Gresch]

Dear QE community,

I am looking for recommendations as to which code to use for unfolding a supercell band structure.

I did find the BandUP code (https://github.com/band-unfolding/bandup), but it seems the code does not support the new XML format of Quantum Espresso.

Does anyone know of an unfolding code that works with the latest QE version? If not, I would also be glad to hear your experience with the BandUP code, to know if it might be worth it to implement this support myself.

Thank you and best regards,
Dominik Gresch
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Simulation Engineer, Microsoft Quantum