[QE-users] calculation on the static dielectric constant

[Stefano Baroni]

It the static, somewhat confusedly called “high-frequency”, dielectric constant, only accounting for the electronic contribution. The ionic (vibrational) contribution should be added separately. SB
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Stefano Baroni, Trieste -- http://stefano.baroni.me

> On 2 Dec 2023, at 20:01, Yu, Jingjing <jy95vowa at studserv.uni-leipzig.de> wrote:
> 
> Dear QE  experts,
> 
> I would like to calculate the static dielectric constant by using the linear response method. I already got some result by using the option of "epsil" of ph.x code. The result in the output file has been attached.
> I am wondering the dielectric constant result calculated here is the real static dielectric constant (the sum of the ionic dielectric constant and optical dielectric constant) or just the ionic contribution?
> 
> If it is just the ionic dielectric constant, how can I obtain the static dielectric constant?
> 
> Any suggestion would be really appreciated! Thank you very much!
> 
> Best regards,
> Jingjing
> 
> Leipzig University
> Leipzig, Germany
> <1.gif>
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