Dear Martin,
It seems that two bands are degenerated in that region(x~1.05) ,
so that they share half of the weight as following:
1
===.5 X 2
0
Best,
Kyoo
2014-06-04 5:06 GMT+09:00 Martin Gmitra martin.gmi...@gmail.com:
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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--
Kyoo Kim,
dept of Physics,
POSTECH, Pohang ,
Korea
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