Revision as of 10:12, 16 November 2018

Data Analysis

Install 'feff'.

Install the full 'Demeter' package, that includes the 'Athena' program. It only works well in Windows 64-bits.

These steps should be done on a terminal, using feff.

These steps should be followed in Athena, from your Virtual machine.

Open Athena.
Import chi.dat.
Select chi(k) as data type.
Click in "replot".
Select the element and edge. (i.e., Pd, K-edge).
Edit k-range [3.0;14.0], dK=1.
Select plotting k-weights: 3.
Apply a forward Fourier transform.
Change plot to R-space, Magnitude-Magnitude. Select and unselect "real part" to update the graph. This will generate a plot |chi(R)| in Å^(-4) as a function of the radial distance in Å.
To change the units of chi(R), change the k-weights.
In the main window, clic on file > save current group as > chi(R).
Save the file as .dat inside your Windows virtual machine. Then move to the shared folder to do the analysis.
You can now do a fancy plot in Origin, showing the chi(R) data you got from Athena.

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 * Change plot to R-space, Magnitude-Magnitude. Select and unselect "real part" to update the graph. This will generate a plot |chi(R)| in Å^(-4) as a function of the radial distance in Å.
 * To change the units of chi(R), change the k-weights.
-* In the graph window, clic on file > save current group as > chi(R).
+* In the main window, clic on file > save current group as > chi(R).
 * Save the file as .dat inside your Windows virtual machine. Then move to the shared folder to do the analysis.
 * You can now do a fancy plot in Origin, showing the chi(R) data you got from Athena.