Calculate the BANDGAP from SCF calculation QUANTUM ESPRESSO Tutorial
>> YOUR LINK HERE: ___ http://youtube.com/watch?v=tsgcceURNG8
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! • DFT Simulations Database:http://www.bragitoff.com/category/phy... • Follow me on: • FB Page: / bragitoff • FB Profile: / ducktape07 • FB Page2: / physwhizforum • IG: / ___physwhiz___ • IG2: / ducktape07 • BLOG: http://bragitoff.com • FORUM: http://physwhiz.bragitoff.com • ANDROID APPS: • https://play.google.com/store/apps/de...
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