Dielectric constant as a function of low frequency

Queries about input and output files, running specific calculations, etc.


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yifitry
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Dielectric constant as a function of low frequency

#1 Post by yifitry » Fri Jun 20, 2014 4:31 pm

I want to calculate the dielectric function in the rang of 0-10GHz (0 to 0.04 meV)

If I use LOPTICS = .TRUE.

I have

frequency dependent REAL DIELECTRIC FUNCTION (?????????)
E(ev) X Y Z XY YZ ZX
--------------------------------------------------------------------------------------
0.000000 2.409053 2.331158 2.273436 0.000000 0.000000 0.000000
0.213491 2.410876 2.332897 2.274978 0.000000 0.000000 0.000000
0.426981 2.416394 2.338149 2.279641 ??????????????????????

If I used LEPSILON = .TRUE. and IBRION = 8

I have only

STATIC DIELECTRIC TENSOR ? at zero frequency

How can I set the parameters in INCAR to determine dielectric constant as a function of low frequency (up to 0.04 meV)?
Last edited by yifitry on Fri Jun 20, 2014 4:31 pm, edited 1 time in total.

support_vasp
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Re: Dielectric constant as a function of low frequency

#2 Post by support_vasp » Thu Sep 12, 2024 7:14 am

Hi,

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