[Wien] orbital moment
Stefaan.Cottenier at fys.kuleuven.be
Fri Nov 24 12:23:02 CET 2006
> I am trying to calculate the orbital moments of atoms in a Magnetic system.
> I have added the spin orbit correction as well as density matrix
> calculation (with rindex=1 and lsindex=3) to my scf but in the results
> (output and scf files) I can not find the ORBxxx parameter.
> I would appreciate if you please tell me what is the problem?
:ORBxxx is only there if LDA+U is used. For LDA+spin-orbit, run once
'x lapwdm -c -so -up' after your scf cycle is converged (using '1 3'
in case.indmc, as you seem to have done), and look in case.scfdmup for
the orbital moment.
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