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Dear VASP users,
I would like to calculate the mean square displacement (MSD) of atoms using the results of molecular dynamics. How to take this into account in my INCAR file and how to get the cartesian coordinates of atoms using the vasprun.xml file? The XDATCAR file gives me only the conventional coordinates, what is not enough to calculated the correct value of MSD. Thanks in advance for yours replies.

Best,
bandri

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