Hi,

I am recently trying to use Larch to fit XAS spectra of uranium compounds (e.g., UO2, using an existing CIF file). I did not achieve a good fit and the amplitude of the model is way lower than the data. Then I tried to plot the uranium oxygen 1^st path with all 8 atoms a sigma2=0.001 by using the plot model function. The resulting scattering peak is still far lower than it should be (images below). Did I do something strange with the program?

The Larch version I used was 0.9.59. I can send the cif file and the UO2 data I used if necessary.

Best,

Juejing

Juejing Liu

Guo Group

Materials Science and Engineering program

Alexandra Navrotsky Institute for Experimental Thermodynamics

Washington State University
Pullman, WA  99164-4630
Office: Fulmer Hall, Room 630
Phone: 208-206-7304