3
$\begingroup$

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?

$\endgroup$

1 Answer 1

1
$\begingroup$

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.

$\endgroup$
1
  • $\begingroup$ Thank you for the response $\endgroup$
    – Xdrake
    Commented Jul 4, 2023 at 16:53

You must log in to answer this question.

Not the answer you're looking for? Browse other questions tagged .