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

[Kim Kyoo]

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.gmitra at 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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