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 p
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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