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I am trying to find the interaction potential profile of electrolyte and a slab system(particularly one type of oxygen atom). I started with two slab systems, one with 200 odd atoms and the other with 520 odd atoms. So far I have been getting big deviations in the energy profiles. My guessing is that this could be a finite size effect and is there a way to check this?

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The easiest method is making a bigger slab system and check results again. The finite size is hard to solve in pbc condition. We can only get a more converged results.

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  • $\begingroup$ Thank you for the response $\endgroup$
    – Xdrake
    Jul 4 at 16:53

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