[Ifeffit] experimental standard

Yun Xu yunxulanl at gmail.com
Tue Nov 18 16:32:03 CST 2014

Hi all
I have a complex oxide BaTi8-xGaxO16. What standards I should run?
Ga is the dopant. I guess I should run the sample without dopant BaTi8O16
as standard, or the simple oxide as BaO, TiO2 Ga2O3?  or is the standard
Also, I have colleage working on DFT, I assume the theoretical standard is
the result from the DFT calculation, and by using the coordinates of the
atoms, I can run FEFF and fit the data.
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