[QE-users] Ionic contributions to the frequency dependent dielectric function using QE?

Rajender Tiwari dr.rajendertiwari at gmail.com
Fri Sep 2 05:46:53 CEST 2022


Dear All,

I want to calculate ionic contributions to the
frequency-dependent dielectric function. I know there are several options
available in QE for calculating eps_inf and eps_0 constants but I'm not
sure of frequency dependency calculation for the ionic part. Essentially, I
want a similar calculation as given in the link below (using the VASP)



https://www.vasp.at/wiki/index.php/Ionic_contributions_to_the_frequency_dependent_dielectric_function_of_NaCl



Any help/suggestion is highly appreciated.

Rajender Tiwari, Ph.D.
Asia Pacific Center for Theoretical Physics (APCTP)
Hogil Kim Memorial Building #530, POSTECH, South Korea
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