[Wien] plotting densities of single k-points with spin-orbit

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Sun Mar 14 09:31:48 CET 2004


> A long time ago, I asked about plotting the electron densities of single
> k-points in a particular band (say a conduction band).  Everything worked,
> but now I'd like to plot the densities for a single k-point including the
> spin-orbit interactions.  (For example I'd like to plot the density of the
> heavy-hole bands in a semiconductor).  Is this possible?  I am having trouble
> with x lapw2 -c -so.  If it is possible, I'll go into detail about what I am
> doing, but I'd like to ask first if anyone else has done this.

There should be no difference between with/without -so !!!

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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