Hi Dan, If your RDF does not converge to 1 at large distances (e.g. if you do not have a bulk system) the IBI method might simply not work. Have a look at this paper: http://www2.mpip-mainz.mpg.de/~andrienk/publications/jochum_2012_a.pdf. You will see that for slab systems you can still use IBI-like alrorithm, but you will have to evaluate the 3-D RDF out of 2-D RDF.
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