[QE-users] How to Calculate band gap in BURAI a GUI of QUANTUM ESPRESSO from output file?

[Satyasiban Dash ph19d005]

First you need to specify what type of material you are interested. If its
a metal and there will be smearing it won't show any band gap.
For band gap put occupation as fixed and define nbnd in system namelist..

On Sun 9 Aug, 2020, 2:39 PM Mubeen Jamal, <mubeenjamal123 at gcuf.edu.pk>
wrote:

>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200809/ba80cd67/attachment.html>