?David,
Thank you so much for a prompt response. Sincerely, Bethuel Khamala, Univeresity of Texas. ________________________________ From: users <[email protected]> on behalf of David Guzman <[email protected]> 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 <[email protected]> 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. _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
