[Pw_forum] epsilon.x

[Halima Zaari]

thanks for your reply.
just i want to know why GaN is semiconductor but in epsilon.out i found Fermi
energy is 11.66 eV the system is a metal???


2014-07-21 11:12 GMT+01:00 Layla Martin-Samos <lmartinsamos at gmail.com>:

> you will never have the correct experimental gap with epsilon. Epsilon
> implements Random Phase Approximation dielectric response with no-local
> fields effects (and of course no-excitonic effects). You need to go to
> state-of-art GW caluclations + Bethe-Salpeter. Or at least some hybrid
> functional. Read
>  Electronic excitations: density-functional versus many-body
> Green’s-function approaches  Rev. Mod. Phys. *74*, 601 – Published 7 June
> 2002  Giovanni Onida, Lucia Reining, and Angel Rubio
>
>
> cheers
>
>
> Layla
>
>
> 2014-07-21 11:30 GMT+02:00 Halima Zaari <halimazaari at gmail.com>:
>
>> Hello all,
>> I am trying to find the optical properties of GaN which has Eg=3.4 eV
>> using the epsilon.x
>> i get the files containig the eloss fucntion and dielectric funtion but
>> the file epsilon.out the epsilon file gives me the following information
>> Fermi energy is 11.66 eV the system is a metal
>> perfoming eps calculation
>> the bulk xx plasomn is 12.41
>> haw i can solve this problem.
>> thanks in advance
>>
>>
>> --
>> H.ZAARI
>>
>> *PhD Student in laboratory of magnetism and physics of high energy
>> (LMPHE)*
>> *Faculty of Sciences in Rabat - Morocco*
>> *Email:** halimazaari at gmail.com <halimazaari at gmail.com>*
>>
>>
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-- 
H.ZAARI

*PhD Student in laboratory of magnetism and physics of high energy (LMPHE)*
*Faculty of Sciences in Rabat - Morocco*
*Email:** halimazaari at gmail.com <halimazaari at gmail.com>*
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