[Ifeffit] CN and bond distances in Artemis

Juan Antonio Maciá Agulló Juan.Macia at ua.es
Tue Dec 12 12:15:12 CST 2006


Hi Anatoly,

Sorry very much Anatoly, you are right, I only told you low values for S02 but I
did not give any value to you. Which is the minimum reasonable coordiantion number
in a fcc structure?
Yes, I assumed a fixed value of 12 for N and I left S02 as variable. I realize
that my fault was to want to obtain both S02 and N in the same fit, and it seems
that I have to do two fits, changing the variable (S02 or N), to obtain both
variables.

Thank you very much

Best regards,
JA
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