[Wien] Plotting the radial part of wave function

reyhaneh ebrahimi reyhanehebrahimi52 at gmail.com
Tue Aug 15 00:02:21 CEST 2023


Dear WIEN2k users
I'm a WIEN2k user, version 23.2.
I would like to plot the radial part of the wave function (u_l(r, E_l)) for
my compound in 2D and 1D. To this end, I followed the user guide of WIEN2k
with version 23.2. Now, for 2D, I have the case.radwf and case.almblm
files, I attached my input and output files at
https://www.mediafire.com/file/tw688j9t31hu897/MnO.zip/file
For plotting the radial part of the wave function, I used "xmgrace
case.radwf" command but it failed with errors such as "Error parsing line
2, skipped."
Would you please help me, how can I plot the radial part of the wave
function?
thank you very much
Sincerely yours,
Reyhaneh Ebrahimi
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