[Pw_forum] Polarization of (101) SiO2 slab

[Paolo Giannozzi]

I guess the former, the unit-cell volume, since it is the only
well-defined volume.

Paolo

On Thu, Apr 20, 2017 at 6:30 AM, Andrey Chibisov
<andreichibisov at yandex.ru> wrote:
> Dear Colleagues,
> I want to calculate the dielectric properties of the SiO2 surface. I used the PW / example10. However, for the SiO2 ((101) surface of Betta-cristobalite), the static dielectric constant is 0.95. Which is very strange. What volume is taken in the calculation of the dielectric constant? The cell volume or the volume of a slab structure?
>
> --
> Best regards,
> Andrey Chibisov. Ph.D.
> Numerical method of mathematical physics Laboratory,
> Computational Center, Russian Academy of Sciences.
> Khabarovsk, Russia
> Web page: https://www.researchgate.net/profile/A_Chibisov
> http://ru.linkedin.com/pub/andrey-chibisov/55/253/986/en
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222