[Wien] Question about spin-orbit coupling

[Deepa Kasinathan]

Dear all,

I have a rather simple question.  I am trying to set up a "spin-orbit" 
coupling calculation using "initso_lapw".  I have a bct unit cell and
want the "so" direction to be along "110".

During the first step of "initso_lapw", I include spin-orbit for Cu atoms
that is sitting on a 2d site (two related wycoff positions, therefore only
one entry in the case.struct as well as case.inso file).

During the "symmetso" step, the symmetry is reduced and the two Cu sites
are independent now. I have to use this new struct file for running the
runsp_lapw -so calculations. My question is, do I change the case.inso
file to include two separate entries for each of the Cu site now ?

Thanks,
Deepa 
MPI CPfS - Dresden