[Wien] How to calculate orbital moment and HFF?

[Lyudmila V. Dobysheva]

> So I did a calculation without SO, then did a calculation with SO (by using
> initso_lapw) and LAPWDM (manually). Here is the content of my input files:
>Fe.inso
>--------------------------------------------------------------------------------------------------------------
>WFFIL
> 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
> 1   -4.97      0.0005      atom number,e-lo,de (case.in1), repeat NX times
> 0 0 0 0 0                    number of atoms for which SO is switch off;
> atoms
>--------------------------------------------------------------------------------------------------------------

I would say that program consider the sixth line here ( 1   -4.97      0.0005) 
as "number of atoms for which SO is switch off", because in line before there 
is 0 atoms for which RLO is added, so next line (atom number,e-lo,de) should 
be omitted. In the given file.inso, spin-orbit for first atom is switshed off.
So, better to take in this way:
--------------------------------------------------------------------------------------------------------------
WFFIL
 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
------------------------------------------------------------------------------------------------------------
Or I am mistaking?

Best wishes
Lyudmila Dobysheva
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