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It's hard to say this better than Matt put it in an email to me:
...we should test ... the "write feffNNNN.dat / read feffNNNN.dat" steps, which
are kind of weird, really. chi(k) is broken apart on a strange k-grid, a bunch of
arrays are down-sampled to single precision, and written out with even less
precision. Then we read in those results, interpolate the components of phase/
amplitude as arrays of k and then recompute chi(k) to compare to data. It might
be fine, but I think the last time this was looked at seriously was 1991.
So ... make the k-grid on which the arrays are saved configurable.