[CP2K-user] XRD data from cp2k
ahadal... at gmail.com
ahadal... at gmail.com
Wed Apr 3 11:40:47 UTC 2019
I simulated the copper ferrite structure for xrd data, i found a number of
columns in it. Somewhere i read that 3rd column and 4th columns are used
for plot.
*The 3rd column is q vector (q=4π sin(θ/2)/λ) [1/A] and the 4th
column<|F(q)|^2> is coherent X-ray scattering intensity. (copied) *
Link: *https://discuss.avogadro.cc/t/uff-parameters-in-avogadro/2288/3*
Can anyone confirm me the authenticity of this formula
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