[QE-users] regarding day 4 max QE-2021: Hands-on session – Day-4 Advanced functionals Iurii Timrov (EPFL, Switzerland)
Dr.A. B. Yadav SVEC
abyadav.rs.ece at itbhu.ac.in
Fri Dec 3 19:07:28 CET 2021
Dear sir,
I wanted to calculate the band gap of ZnO using DFT+U model listed in day
4. What parameter in input file I have to change. How we can plot band
structure also. Please help.
Sincerely,
Dr. Aniruddh Bahadur Yadav
Velagapudi Ramakrishna Siddhartha Engineering College
(Autonomous) Kanuru , Vijayawada
Andhra Pradesh - 520007,INDIA
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