Positional recurrence maps, a powerful tool to de-correlate static and dynamical disorder in distribution maps from molecular dynamics simulations: the case of Nd2NiO4+d

Phys. Chem. Chem. Phys., 2016, Advance Article
DOI: 10.1039/C5CP06464C, Paper

A. Piovano, A. Perrichon, M. Boehm, M. R. Johnson, W. Paulus
In order to investigate the on-site motion of the diffusive species in crystalline solids, we have implemented a code to perform a time-summation of displacements of specific atoms, involving symmetry and adapted projections.
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