Reliability of Monte Carlo simulations of disordered structures optimized with evolutionary algorithms exemplified with diffuse scattering from La_0.70(1)(Al_0.14(1)I_0.86(1))

The reliability, reproducibility and influence of refinement parameters of evolutionary algorithm refinements of Monte Carlo simulations have been investigated in analyses of complex disorder and corresponding diffuse scattering from the compound La_0.70(1)(Al_0.14(1)I_0.86(1)). It was found that the resulting structures are qualitatively and quantitatively in good agreement independent of the strategy used. Recommendations for the best choice of the parameters are given.