[Wien] How do calculate αopt by εxx≈εyy ≠ εzz?

[Peter Blaha]

Of course the average of epsilon.

Am 08.09.2015 um 21:54 schrieb Marzieh Gh:
> Dear Prof.Blaha& Tran
>
> I have calculated static dielectic functions by YS-PBE0 approximation
> according your paper( J. Phys.: Condens. Matter 25 (2013) 435503 (8pp))
> , But static dielectic functions in my case (KTiOPO4) have different
> values in 3 directions(εxx≈εyy ≠ εzz).
>
> How do calculate α(opt)? which ε insert in formula(αopt= 0.147+ 0.634/ε*)?
>
> Please help me
>
> Best Regards,
>
> --
> Marzieh Ghoohestani
> PhD Student of Computational Nano Physics
> Nano Research Center, Department of Physics
> University of Technology, Isfahan, Iran
>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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Austria
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