[Wien] in1new problem (addition)
Stefaan Cottenier
Stefaan.Cottenier at fys.kuleuven.be
Mon Jun 6 10:55:29 CEST 2005
In addition to the previous post: I meanwhile tested that for a LuSb in
the same geometry, in1new and spin-orbit work without problem. For Lu,
the 5d are in the core. The linearization energy for Sb-5p is found by
in1new as the weighted average of the two types of spin-orbit
eigenvalues, as should be. Conclusion: the problem for LaSb is really
due to the presence of La-5d in the same energy region.
Stefaan
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