[Wien] QTL bands structure with SOC :: lost orbital character

Martin Gmitra martin.gmitra at gmail.com
Tue Jun 3 22:06:15 CEST 2014


Dear wien2k users,

I am doing calculations (v13.1) of band structure characters with SOC for
MoS2 (x lapw2 -so -band -qtl). I have found that the lower valence band
split due to spin-orbit coupling has very tiny fat balls for all the atoms
and orbitals. What would be (physical) reason for loosing orbital
character? I am attaching plot of the valence bands.

Best regards,
Martin Gmitra
Uni Regensburg
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