[Ifeffit] Ifeffit Digest, Vol 49, Issue 20

Ricardo Faccio rfaccio at fq.edu.uy
Thu Mar 29 16:58:36 CDT 2007

Dear Iffefit users

I am performing a refinement for a  La2CuO4 in powder.
I followed Bruce's course, and I tried determine S02 hopping its correlation 
with sigma^2.
I am attaching a graph of this determination. Please see enclosed the file.
My question is: Is common to obtain a S02 of 0.625? and is common to obtain 
a nearly sigma^2=0?
I didn't fit E0, alpha and degeneracy for the first single shell. What is 
the best strategy to fix this bad result?
Thanks in advance

-----   Ing. Quím. Ricardo Faccio

  Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
  Facultad de Química, Universidad de la República
       Av. Gral. Flores 2124, C.C. 1157
       C.P. 11800, Montevideo, Uruguay.
  E-mail: rfaccio at fq.edu.uy
  Phone: 598 2 9241860 Int. 109
             598 2 9290705
  Fax:    598 2 9241906
  Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm 
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