[QE-users] Issues with BandUP for unfolding bandstructure

[David Guzman]

This is probably a question for the BandUp development team.

Regards,
David Guzman
Brookhaven National Lab

> On Mar 15, 2020, at 7:59 PM, Khamala, Bethuel O <bokhamala at utep.edu> wrote:
> 
> 
> I'm following the tutorial below in the bandup. I'm interested in the bandup of some materials. However, the unfolding script cannot produce the "unfolded_EBS_symmetry-averaged.dat" that will be needed in plotting the unfolded bandstructure. see the link below:
> 
> https://github.com/band-unfolding/bandup/tree/master/tutorial/Quantum_ESPRESSO/example_2_bulk_Si
> 
> Any help will be appreciated.
> 
> Thanks.
> 
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