[QE-users] I'm confused about how to use PBE0

Battal Malika rose-marron2008 at hotmail.fr
Wed Mar 1 22:30:34 CET 2023


Hello,
I noticed that bandgap of ZnO is underestimated when using GGA. It seems like PBE0 is the most accurate methode in my case to find a value close to the experimental one. Neverthless I don't know how to use it and how much time i'll need to run it in a laptop with 8 processors.
Can you please clarify my doubts?





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Malika battal
student - Qatar University
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