[Pw_forum] Frequency Dependent Dielectric Function

Layla Martin-Samos lmartinsamos at gmail.com
Thu Nov 29 09:31:24 CET 2012


Dear Iwan, take a look at epsilon.x inside PP directory. Be careful,
epsilon.x only implements RPA (Random Phase Approximation) dielectric
function with no local fields effects and without the nonlocal part of the
pseudopotential.

cheers

Layla

2012/11/29 Iwan Darmadi <iwan_darmadi at rocketmail.com>

> Dear All,
>
> I am Iwan Darmadi, undergraduate physics student, Universitas Indonesia.
> Currently I am running TM doped ZnO simulation using Quantum Espresso.
>
> At the moment, I plan to calculate dielectric function (frequency
> dependent) of my model. I have read the manual and other sources
> but I hardly find how to calculate them.
>
> My question is, does QE have feature to calculate frequency dependent
> dielectric function ?
> If yes, could anyone tell me the main steps to calculate them ?
>
> Regards,
>
> Iwan D.
>
> ****
> *
> *Iwan Darmadi*
>  Undergrad.Student - Department of Physics
>  Universitas Indonesia
> *www.iwandarmadi.wordpress.com* <http://www.iwandarmadi.wordpress.com/>
>
>
>
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