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

Fred Nastos nastos at physics.utoronto.ca
Wed Mar 17 01:59:55 CET 2004


On March 14, 2004 03:31 am, Peter Blaha wrote:
> > 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 !!!

Yes, I made an error.  I did not "save_lapw" and moved some files
got modified.  It all works very very well now!

Thanks for your help,

Fred




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