[Wien] what are the units of measurement of Kmax and Gmax in WIEN2k? (Artem Urubkov)
Stefaan Cottenier
Stefaan.Cottenier at fys.kuleuven.ac.be
Fri Sep 3 14:34:58 CEST 2004
> But then another question arises. Are the number of harmonics in
> expansions of potential and in expansion of pseudo-wave functions
> comporable?
I'm not sure whether I got your point. The maximum l for the wave functions
is given in the first lines of case.in1 (default 10), while the maximum L
for the potential expansion is given for every atom in case.in2 (default 6).
Does that answer your question?
Stefaan
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