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 <[email protected]> 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 > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
