[Wien] potential calculations

[Peter Blaha]

> Can you please give me an idea as how I can calculate th atomic
> potentials versus the distance (r) by using the wien 2k code?

This depends a bit on what you really need (at what distances,direction,....)
If you want the spherical average inside the spheres you could simply plot 
case.vsp (it contains V*r on the well know log radial mesh)

Otherwise use R2V in case.in0 and plot the resulting files (case.vtotal,...)
using lapw5 (1D plot, but this depends on the direction).

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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