[Wien] Ask for help

[Pavel Ondračka]

Dear Siham,

yes, you can get a full dielectric tensor from Wien2k, just select the
appropriate components in case.inop and case.injoint files.

If I remember correctly the orientation of the tensor is that the xx
direction of the dielectric tensor is in the direction of the a lattice
parameter, yy is in the plane defined by a and b lattice parameters
(and perpendicular to xx) and zz is perpendicular to yy and xx. So for
some arbitrary direction you will have to do the transformation
yourself.

Best regards
Pavel

On Tue, 2020-01-28 at 13:43 +0100, Siham Malki wrote:
> Dear All,
> I calculated the dielectric function with Wien2k, so i obtained this
> function vs energie , i need to know how to change the wave vector of
> light q for determine the variation of the dielectric function as
> function the wave vector q. Can you help me please.
> Best regards
> 
> 
> 
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