File: write_exa.iff

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ifeffit 2%3A1.2.11d-15
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#
# add writing of output chi(k) to autobk-like spline
#
 read_data(file = ../data/cu.xmu, label = 'energy xmu', group = cu)
 spline(energy= cu.energy, xmu= cu.xmu, kweight=1)

 $xtitle = "Cu 10K chi(k) from ifeffit's spline"
 write_data(file = "../data/cu.chi", cu.k, cu.chi, $xtitle,
           $cu_title*)