A question of physics - LOPTICS vs LEPSILON

[giacomo giorgi]

Dear All,
I am not able to answer to this my doubt.
I am able to reproduce static dielectric constant and frequency dependent (omega->0) for all bulk materials (including a reasonable number of empty bands, of course.

Now I have a layered system. one with a chemical bond between the two layers, one without (physisorbed).

For the former case I am still able to compare (almost) static dielectric constant and frequency dependent (omega->0), still with a reasonable number of empty bands.

For the latter (same system as before BUT WITHOUT ANY CHEMICAL BOND, just PHYSISORPTION) the two values, the static dielectric constant and the frequency dependant one, are far different regardless the number of empty bands.
How to behave in this case, since no number of empty bands can be figured out?

Can you clarify my doubt?
Is it a behavior I should expect?

Thanks a lot and excuse my ignorance

Best,
G

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