[Wien] prepare_xsf_lapw error with AFM Calculation. ( vcoul potential)

[Eric Kenney]

Good morning!  I'm attempting an AFM calculation with the R2V option
enabled.

Here's what I've done:

I've replaced the normal *case*.cumsum file with the *case*.vcoul file so
that I can look at the coulomb potential.

I've created my *case*.inxsf file.

I then try to run prepare_xsf_lapw.

Now, for non-spin polarized calculations, this works fine.  But for a spin
polarized, AFM calc, I find that I get the following error:












*OPEN FAILED  ERROR IN OPENING UNIT:           9
FILENAME: NaMnO2AFM.clmval                         STATUS: old
FORM:formattedOPEN FAILEDTraceback (most recent call last):  File
"/usr/public/wien2k/18/prepare_xsf_lapw", line 359, in <module>
write_xsf_grid(xcrzeilen, gridmatrix)  File
"/usr/public/wien2k/18/prepare_xsf_lapw", line 298, in write_xsf_grid
rho = open(os.path.basename(os.getcwd())+".rho_"+str(i+1),"r")*

This is a bit odd; first off, lapw5 should be creating *case.*clmval, so
I'm not sure why it is trying to open it.  Aside from that, I don't
understand why the program is crashing in general.  Is it because I'm doing
an AFM calculation?  It's worth nothing that I can calculations in xcrysden
via the GUI just fine -- but I need a 3D calculation, not just a 2D one. If
anyone has any insight, it would be greatily appreciated.

Thank you!
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