[CP2K-user] Comparison between Experimental and Simulated( from cp2k) XRD spectrum

ahadal... at gmail.com ahadal... at gmail.com
Tue Apr 2 17:18:25 UTC 2019


Dear Cp2k users, 
I have simulated the copper ferrite (CuFe2O4) structure and drawn a Xrd 
spectrum from XRD print command. Draw with the 3rd and the 4th column 
labeled with q [1/A] and <|F(q)|^2> from Xrd data. And now I am trying to 
make link between experimental and simulated pattern, can anyone help me 
out 

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