[Ifeffit] XANES from FEFF9

manju rao manju.rao007 at gmail.com
Fri Jul 13 23:54:24 CDT 2018

Hi Matt

As I am new to FEFF, I was estimating SO2 to be equal to 1 for XANES. But I don't know if it was good to have such guess or not. 

By changing Exchange card from 0 0 0 0 to 0 0 0 2, I am getting a noticeable change in absorption edge. The edge showed a little shift to higher energy and also slight fall in amplitude of edge. These changes are not ignorable. So I am confused about what approach to follow.


Sent from my iPhone

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