[QE-users] RPA 'epsilon.x' for dielectric constants?

mkondrin mkondrin at hppi.troitsk.ru
Thu Sep 17 13:44:09 CEST 2020


On 17.09.2020 14:29, Raji Abdulrafiu wrote:
> Dear colleagues,
>
> My question concerns calculating the dielectric constants 
> (static/macroscopic) of solids using the RPA approximation.
> I want to find out however if I may use the epsilon.x executable for this.
>
> It was suggested that one sets the frequency to zero and look at the 
> static dielectric function. My question therefore is where do I do 
> this?. Perhaps in the epsilon.f90 code. If yes, where exactly in the 
> code? I will appreciate any lead on this, as it doesn't appear that it 
> would be in the epsilon input file.
>
> Thank you very much for your time.
>
> ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
> Abdulrafiu.T Raji, PhD (Physics)
> Department of Physics,
> College of Science, Engineering & Technology (CSET),
> University of South Africa (UNISA),
> Pretoria, South Africa.
> Tel (office): +27-12-429-4201
> Skype: abdulrafiuraji
> ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
>
>
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Hi, Raji!

Obtain dielectric function (depending on frequency) using epsilon.x and 
find dielectric function value at zero frequency limit.

Sincerely yours,
M. V. Kondrin


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