> But msds of the atoms of interest (no doubt in increasing
> order) are spiky, irregular, with very small linear behavior inbetween.
Yes, that's to be expected. That simply shows the random movements of individual particles. Only when you average over a large numbder of particles will you get a more linear behaviour. It will also make a difference whether your ions move in a homogeneous environment or not.
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Received on Sat Feb 27 2010 - 01:30:03 PST
