[Ifeffit] Attempted XANES calc using FEFF8.1 - what's wrong?

[Matthew Marcus]

I tried the XANES calculation on FEFF8.10 with calcite at the Ca K-edge as 
the object.  I had just taken some data on this
compound, and I wanted to see how it compares.  The attached shows that it 
doesn't compare all that well.  I've also attached the
feff.inp file I used, which was made by ATOMS using coordinates from the 
atoms.inp database.  I used default parameters
and read the result from the xmu.dat file.  The energy cal on the 
experimental data was done using the Sb L3-edge assumed at 4132.2eV,
since 3um foils of Ca metal are a little hard to handle :-).   Next stop, I 
suppose, is FDMNES, which I recently downloaded.
    mam 
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