[Ifeffit] spinel XANES calculation by Feff

[Enyuan Hu]

Dear all,

I was wondering if anyone had experience in calculating XANES spectra using
Feff for the spinel system. The material I was trying to investigate was
ZnFe2O4. There were reports in literature that gave satisfying simulation
results by Feff so I tried to follow. The feature peaks' positions from my
simulation is generally right, but the intensity is definitely wrong. So I
guess either someone can give me some suggestion about the getting the
intensity right or share with me about his or her spinel XANES calculation
experience. My background is mainly in chemistry and material science with
general ideas about electronic structure. Any comment or suggestion will be
greatly appreciated. Thanks!

Enyuan
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