[Ifeffit] help: can I use ifeffit to predict chi?

[Tai-Yen Chen]

hi,
   Can anyone tell me whether I can use ifeffit to do this 
job?

I want to know the % change in chi when the molecule have 
3% change in radius?
All I have is just the crystal struture of gamma-Fe2O3, 
which means I can only get the Feff.
How can I introduce 3% change in redius so that I can get 
the difference of chi?
Can anyone help me? Tanks a lot.






TaiYen Chen 979-739-7772
Department of Chemistry
Texas A&M University
P.O. Box 30012
College Station, TX 77842-3012

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