[Pw_forum] problem with gap

[Arles V. Gil Rebaza]

Dear Halima, try with hybrid functionals like HSE. this work with QE.
Please provide your institutional affiliation
Best

PhD. Arles V. Gil Rebaza
IFLP - Argentina


2013/10/11 Halima Zaari <halimazaari at gmail.com>

>
> Deal QE Users
> I tried to make a calculation of GaN on the espresso code, it gives me a
> gap value  of 0.59 eV while  Eg (Exp)= 3.4 eV is there any  method to
> approximate to the experimental one.?
>
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