[Ifeffit] Geting Trouble in Fitting CuZr2 strucutr with Cu33Zr67 alloy using simulations

Akash Deshmukh akdeshmukh9 at gmail.com
Fri Oct 11 23:24:45 CDT 2019

I am trying to do EXAFS fitting using simulations for Cu33Zr67 (Cu33).
After running lammps program, I have got.XYZ files for the Cu33. While
running edamd command, I am not getting output files. However, the program
is running continuously for more than 12 hours. I am considering CuZr2
crystal structure as an input file to fit with Cu33. Can anyone please help
me to figure out this?


With Best Regards,
Akash A. Deshmukh,
+91 9175477696
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