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A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)

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StructureFactor

Structure factor S(q) of argon was calculated from the pair correlation function g(r) using the Fourier transformations. The pair correlation function g(r) was calculated at T = 85 K and P = 0.0001 GPa via NPT-ensemble based Monte Carlo simulations using the (12-6) lennard jones potentials.

Structure of argon

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A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)

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