Dear Lukasz
you didn't tell which scattering program, is it similar to the one of Francesc
Salvat and Ricardo Mayol (Computer Physics Communications 74 (1993) 358) ?
There is a subroutine (VCALC) in Salvats code that "creates" muffin tin
potentials from the atomic potential.
If you like to use
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
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