[QE-users] Band unfolding in QE v6.6

William Hewett williamholmeshewett1 at gmail.com
Thu Oct 8 04:14:48 CEST 2020


Hi QE Users,

I'm wanting to unfold a band structure calculation on a supercell, I've
tried Bandup (https://github.com/band-unfolding/bandup) however it seems
the current version of Bandup is not compatible with versions of QE post
6.3. My calculation requires QE 6.6.

Does anyone know if it is possible to use Bandup with QE v6.6, or suggest
an alternate unfolding code compatible with QE v6.6?

Thanks

Will Hewett
Postdoctoral Researcher
Victoria University of Wellington
New Zealand
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