[Ifeffit] XANES from FEFF9
manju.rao007 at gmail.com
Wed Jul 11 06:51:31 CDT 2018
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?
Department of Physics
Punjabi University, Patiala- 147 002
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