[Pw_forum] epsilon.x uniaxial material

[Andrea Ferretti]

Hi Silvia,

the dielectric tensors computed by epsilon are defined on cartesian
coordinates, and symmetry is not used to reduce the number of components
to be computed. Of course, this does not mean that the proper symmetry of
the dielectric tensor is missing (and this is typically a good check to
be done a posteriori)

Andrea

>
> I am using epsilon.x to obtain the dielectric function of uniaxial material
> (ibrav= 5 with trigonal symmetry).
>
> However, e.g. the file epsi.dat contains three different values epsi_x
> epsi_y epsi_z, while there should be two independent components (for E
> perpendicular and parallel to the optical axis, e.g. epsi_x=epsi_y). Could
> you, please, think of what the reason could be?
>
> Many thanks,
>
> Silvia
>
>
> ----------------------
> Dr. Silvia Bakalova,
> Post Doctoral Researcher,
> HH Wills Physics Laboratory,
> Bristol, BS8 1TL, UK
> http://spectra.phy.bris.ac.uk/
>

-- 
Andrea Ferretti
MIT, Dept Material Science & Engineering
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Tel: +1 617-452-2455;  Skype: andrea_ferretti
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