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.bl...@tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at
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