[Ifeffit] XANES from FEFF9

[manju rao]

Hi.

I am trying XANES simulation in FEFF9. My system of calculation is SrZnO2
and I am simulating Sr K edge.
I noticed that on changing SO2 card from 0.0 to 1.0, there is change in
position as well as profile of absorption edge. Also, by selecting or
deselecting EXCHANGE card, some changes are also there.
So, which approach is to be followed to obtain trust-able spectra?
Please help.



Manju
Research Scholar
Department of Physics
Punjabi University, Patiala- 147 002
Punjab, India.
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