Hi
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!
dielectric constant calculation
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Re: dielectric constant calculation
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