[Wien] What is p-1/2 LOs ?

[Stefaan Cottenier]

> Does it mean that for 3d and 4d transition metals or oxides,
> one does not need to add the P1/2 LO ?  If so, how to deal with
> the case.inso file to include the spin-orbital coupling which
> in some cases is important.

Indeed, for those oxides there is no need for p1/2. Put a zero in the line 
with 'number of atoms for which RLO is needed', and delete the subsequent 
line(s) with linearizatio energies:

 4  1  0                      llmax,ipr,kpot
 -10.0000   1.50000           emin,emax (output energy window)
   0.  0.  1.                 direction of magnetization (lattice vectors)
 0                            number of atoms for which RLO is added
 0 0 0 0 0                    number of atoms for which SO is switch off; 
atoms

Stefaan