[Wien] orbital moment

[Stefaan Cottenier]

>      To get the orbital moment reported in a spin-orbit scf calculation
> (no L(S)DA+U or OP calculation but  only spin-polarized spin-orbit 
> calculation)

This will work:

1) converge in the normal way
2) prepare a file case.indmc, with all the orbitals for which you want to know 
the orbital moment, and '1 3' in the last line
3) x lapwdm -c -so -up
4) the orbital moments (in T) are given in the last column of case.scfdmup

> and in the case.indm file 
> the  last line
> 0 0   r-index, (l,s)-index 
> is needed or it is obsolete?

For the orbital moment, it needs to be

1 3   r-index, (l,s)-index 

(see UG, section on lapwdm)

Stefaan