[Wien] Plotting the Coulomb potential
stolbov
stolbov at phys.ksu.edu
Fri Oct 10 18:37:31 CEST 2003
Dear Wien2k users,
I have some problem when plotting Coulomb potential for a slabs which
mimic metal surfaces, more specifically Pd(111) and Pd(211) surfaces
(clean and with adsorbates). I run lapw2 for energies including only
actual valence states and then lapw5 with corresponding replacement in
lapw5.def. Everything looks OK, except vacuum region, where I see an
intensive noise instead of a smooth behavior. This is not periodic
oscillation, but real noise that suggests that it originates not from
low RKM cutoff , but from something else. My questions are:
a) Where does it come from?
b) How could I avoid it?
I appreciate your suggestions in advance,
Sergey Stolbov
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