[Wien] Atomic muffin tin potential output

[Peter Blaha]

The muffin tin (spherically symmetric potential inside spheres, zero in 
interstitial) is stored in case.vsp (up/dn).

It is stored as r*V in Ry (so that the first point is nearly 2*Z).

Regards
Peter Blaha

Am 14.01.2024 um 02:14 schrieb pluto via Wien:
> Dear All,
> 
> An electron scattering program I am testing can take atomic muffin-tin 
> potential as an input.
> 
> Is there a convenient way to output such muffin tin potentials from WIEN2k?
> 
> If not, then I would appreciate if you could advise on how to generate 
> such muffin tin potentials conveniently.
> 
> Best,
> Lukasz
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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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