[Wien] lapwdm

[Bin Shao]

Dear all,

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?

Thank you very much!

Best

-- 
Bin Shao, Ph.D. Candidate
College of Information Technical Science, Nankai University
94 Weijin Rd. Nankai Dist. Tianjin 300071, China
Email: bshao at mail.nankai.edu.cn
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