Difference between different combination

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Difference between different combination #15

Open pratibha77118 opened 11 months ago

pratibha77118 commented 11 months ago

What exactly is the difference between different configuration? It seems that the final potential energy after optimization is different ? Any idea how we start with the initial ideal position ?

poojashresthacode commented 11 months ago

I think the main difference is the positions of the Na and the Cl ions. In addition binding energies too. Any idea how we start with the initial ideal position ? I am not clear about the question. Can you simplify the question?

Pranjal-Srivastava-2023 commented 11 months ago

@poojashresthacode how did you choose the initial configuration for the seventh figure?