[Pw_forum] problem with gap

[Julian Gamboa]

LDA 1/2


2013/10/11 Arles V. Gil Rebaza <arvifis at gmail.com>

> 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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>
>
>
> --
> ###--------->   Arles V.   <---------###
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-- 
....Julián Niño....
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