[Wien] Plotting the radial part of wave function

[Peter Blaha]

Please search the mailing list.
There were some previous post about the format of these files.
You certainly cannot plot them in xmgrace, as it does not contain x-y data.

Am 15.08.2023 um 00:02 schrieb reyhaneh ebrahimi:
> 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 
> <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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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
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