Dear WIEN2k developers,
Could anyone please explain to me the role of spin-orbit in L2,3 (or M4,5)
ELNES calculations? In particular, suppose I am trying to get L2,3 ELNES of
non-magnetic compounds.Does ELNES know about spin-orbit coupling and L2 vs. L3?
In other words, how
can I get the correct L2,3 ELNES of a compound (for example, L2,3 of Ti in TiC)
with wien2k code?
If I say true,1. initializing with changing the occupation number of 2p1/2 in
case.inc.2. running a spin-orbit scf (run_lapw -so -ec 0.0001 -p)3. telnes3
program in tasks section.4. repeating above statements for 2p3/25. sum up the
L2 and L3 spectra results
Many thanks in advance for your help,
Hajar
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