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regarding static dielectric constant

Posted: Fri Aug 28, 2020 10:11 am
by sdeepmanav
Dear VASP Users,

I calculated the frequency dependent dielectric function within in IPA. Is it possible to extract the static dielectric constant value from frequency dependent dielectric function at zero frequency ? or DFPT is only the way to compute static dielectric constant? Can someone let me know about it?

Thanks and regards

Sandeep

Re: regarding static dielectric constant

Posted: Tue Sep 01, 2020 7:50 am
by merzuk.kaltak
With LOPTICS=.TRUE. in the INCAR you can find the frequency dependent dielectric function in the OUTCAR or vasprun.xml file including the zero-frequency value. In case you are interested in the macroscopic static dielectric tensor we refer you to our Wiki entries:

wiki/wiki/index.php/LEPSILON
wiki/index.php/LCALCEPS

The latter is an alternative to the DFPT method (selected with LEPSILON) and uses the "perturbation expansion after discretization" (PEAD) method.