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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