[Wien] spin-orbit in L2,3 (or M4,5) ELNES

[Hajar Nejati]

Dear WIEN2k developers, 


Could anyone please explain to me the role of spin-orbit in L2,3(or M4,5)  ELNES calculations? Inparticular, suppose I am trying to get L2,3 ELNES of  non-magneticcompounds.

Does ELNES know about spin-orbit coupling and L2 vs. L3? In otherwords, how 

can I get the correct L2,3 ELNES of a compound (for example, L2,3of 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 2p3/2

5. sum up the L2 and L3 spectra results

Many thanks in advance for your help

 Hajar


 
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