Hi Dominik,
I did give it ago about 1.5 years ago with QE6.3 if I remember correctly
compiled with the OLD_XML flag (it was dropped in later releases), so I
believe that unless you need some very new features you probably can use
slightly older version.
Best regards,
On 13/01/2020 16:55, Dominik Gresch wrote:
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
---
Simulation Engineer, Microsoft Quantum
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--
Oleksandr Motornyi
PhD
Laboratoire de Solides Irradies
Ecole Polytechnique (Palaiseau, France)
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