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Topics - mrodriguez

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Support Forum / Help with Correlation function and Coordination polyhedra
« on: January 28, 2019, 06:56:26 PM »

I am new with the use of OVITO. I am studying the structure of a simulation with three elements (A, B, O) and since I start from a random configuration I need to know the following:

- Is it possible to identify trigonal structural units (AO3) and structural tetrahedral units (AO4)? Is there any way to count how many units I have of one type and how many of the others?

I found the Coordination polyhedra functions in the manual for the first case, but it only allows me to see structures type AO4.

- Is it possible to obtain the total structure factor or an equivalent function? I also found in the manual the Correlation function, but it's not clear to me what I'm looking for.

Thanks for your help

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