Calculate the BAND-GAP from SCF calculation - QUANTUM ESPRESSO [Tutorial]
Channel: Phys Whiz
Date: 2018-01-03

A detailed tutorial on how to calculate the band-gap from SCF run in Quantum ESPRESSO using it's GUI, BURAI 1.3.

In short just set the Occupations to 'fixed' and provide nbnd.

Hope you find it useful!

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