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
