Dear Malika,
the Fock exchange (also known as exact exchange) included in PBE0 is
very computationally intensive, it is unlikely that you'll be able to
run it on a laptop.
kind regards
On 01/03/2023 22:30, Battal Malika wrote:
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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_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
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