<html><head></head><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:16px"><pre id="yiv2575292995yui_3_16_0_1_1452243367486_3610" class="" style="font-family: courier, 'courier new', monospace; margin-top: 0px; margin-bottom: 0px; font-size: 14px; word-wrap: break-word; line-height: 19.6px;">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.</pre><pre id="yiv2575292995yui_3_16_0_1_1452243367486_3612" class="" style="font-family: courier, 'courier new', monospace; margin-top: 0px; margin-bottom: 0px; font-size: 14px; word-wrap: break-word; line-height: 19.6px;">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</pre></div></body></html>