dielectric constant calculation

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dielectric constant calculation

Postby leisy » Thu Oct 11, 2018 10:07 am

I have a big problem in the calculations of dielectric constant. As we all known, dielectric tensor is a matrix, depending on frequency. Recently, I read an article (PHYSICAL REVIEW X 4, 031044 (2014): Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials) in which the dielectric constant profile is related to coordinates, especially relevent to two directions, parallel and vertical.

Details can be found in equ.3 and 4 in the article.

I wonder the meaning of each physical quantity and how it is calculated.

Could anybody help me. Thank you very much!
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