[QE-users] Issues with BandUP for unfolding bandstructure

[Khamala, Bethuel O]

?David,


Thank you so much for a prompt response.


Sincerely,


Bethuel Khamala,

Univeresity of Texas.

________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of David Guzman <davgumo at me.com>
Sent: Sunday, March 15, 2020 7:13 PM
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Issues with BandUP for unfolding bandstructure

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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