Dear all,
Last time? I posted on the calculation of Means Squared Displacement(MSD)
through QE output? I didn't got satisfactory reactions. I tried to do it, but
it was not succesfull.
Please could somebody give me a hint on how to postprocess the output files to
get the MSD of each atom after molecular dynamic runs?
Is there any available code for this purpose? I have? the? same? problem with
the calculation of Pair Correlation Function.
Thanks very much for your help.
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Bertrand SITAMTZE
Laboratory of Material Sciences
Department? of Physics
University of Yaounde I-Cameroon
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