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

[Stefaan Cottenier]

> Anyway, I've never plotted an "interstital DOS" myself !!!
> I would not know for what purpose.

Hm..., maybe this one could be an example :

6p states in lanthanides are rather strongly bound (-2.5 Ry) but not fully
confined within Rmt. They show a strong efg, induced by the 4f-efg.
Examination of the DOS (*) inside and outside the muffin tin sphere could
show how much the 'inner part' of the 6p contributes to this induced efg
compared to the 'outer part' (interstitial part). This is possible here
because the 6p peaks are completely separated from any other state. Of
course one needs the interstitial p-DOS for such an analysis. And because
these heavy lanthanides are done with SO, one would wish to be able to
calculate a meaningful interstitial DOS, also with SO.

I don't see something mentioned about interstitial DOS and SO under TETRA in
the latest UG. If that is indeed not meaningful, a warning could better be
added (or even better: tetra could print a warning and should refuse to
calculate interstitial DOS if SO is used).

(*) with a very small energy-step in case.int, because this DOS has just
narrow sharp peaks.

Stefaan