[Wien] orbital moment

[Stefaan Cottenier]

> I have calculated the spin-orbit effect with spin-polarized calculations
> for a tetragonal perovskite system contains lanthanide.
> According to the userguide first I run simple scf cycle with
> spin-polarized condition then save the data and after that I include
> spin-orbit effect.
> The programme is successfully terminated but I am unable to find the
> orbital magnetic moment of lanthanide ion.
> In case.scf files I found only spin dependent magnetic moment.
> Will you be kind enough to let me know where I will find the orbital
> magnetic moment.

You need to run lapwdm after finishing the scf cycle (it takes only a 
few seconds), with '1 3' in the last line of case.indmc. The orbital 
moment for each selected orbital will be printed in case.scfdmup. See 
the usersguide, section 'lapwdm'.

Stefaan