[gpaw-users] Dielectric Function

[Jun Yan]

Hi, Torsten,

   Do you mean that you want to get the diagonal elements (eps_x,y,z) of 
a 9 component dielectric tensor ? 
   If so, you can find tutorial and manual at 
https://wiki.fysik.dtu.dk/gpaw/tutorials/dielectric_response/dielectric_response.html#df-tutorial
https://wiki.fysik.dtu.dk/gpaw/documentation/tddft/dielectric_response.html#df-theory
   The current version can't support calculating the off-diagonal 
elements (fx: eps_xy, eps_xz) of the dielectric tensor   .

   The dielectric function, which is both wave-vector (q) and frequency 
(w) dependent, is calculated in a different way for excitations with 
photons (q-->0) and electrons (finite q).  If you are interest in 
optical excitations, you can follow the example 1 in the above tutorial.

All the best,
Jun

Torsten Hahn wrote:
> Dear all,
>
> Is it possible to get the components of the real and imaginary parts of the dielectric tensor (eps_x, eps_y, eps_z) ?
>
> Best regards,
> Torsten.
>
>
>
>
>
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