[Wien] K point changed with Spin-orbital coupling.

[Stefaan Cottenier]

> Hm... I'm sorry, I don't quite see the point. I would eventually plot the
> p-xy, pz splitted DOS, but the interstitial DOS?? This "outer-part" cannot
> be analysed according to pxy or pz anyway. How much "charge" is outside
> spheres I get from the partial charges, where the 6p states may only have
> 5.x electrons inside the sphere.

I did not check this yet with an actual calculation, but the reasoning is as
follows: IF the p-xy and p-z DOS are sufficiently separated from each other
inside Rmt (which I imagine could be possible with such narrow, sharp
peaks), THEN the same peak-sequence would most likely show up in the
interstitial DOS, which would allow a p-xy/p-z identification also in that
region. But maybe this 'if' is just never true.

Stefaan