[Wien] lapwdm

[Stefaan Cottenier]

> I intend to calculate the orbital moment of A atom in my system with
> LDA+U and spin-orbital coupling. First, I did a scf calculation with
> LDA+U, then I did a nos-scf calculation with soc. As the UG said that
> the orbital moment will be automatic printed in the case.scfdmup/dn. But
> I forgot to include A atom which I care about in case.indm. To get the
> orbital moment of A atom, I ran lapwdm -up/dn -so with the new input
> files case.indm. It seems the program only update the case.scfdmup. My
> question is whether the orbital moment of A in the new case.scfdmup is
> what I need. If not, which file?

Indeed, case.scfdmup is the place to look. However, do you have a 
specific reason why to do a non-selfconsistent spin-orbit calculation? 
If not, do it selfconsistently (and use case.indmc and x lapwdm -c -up 
-so instead).

Stefaan