The Zeeman term for orbital magnetic moment is available as an interaction with a uniform magnetic field by the following keywords:
scf.NC.Zeeman.Orbital on # on|off, default=off scf.NC.Mag.Field.Orbital 100.0 # default=0.0(Tesla)When you include the Zeeman term for orbital magnetic moment, switch on the keyword
<Atoms.SpeciesAndCoordinates 1 Sc 0.000 0.000 0.000 6.6 4.4 10.0 50.0 160.0 20.0 1 on 2 Sc 2.000 0.000 0.000 6.6 4.4 80.0 50.0 160.0 20.0 1 on Atoms.SpeciesAndCoordinates>The 10th and 11th columns give the Euler angles, and , in order to specify the magnetic field for orbital magnetic moment. The 12th column is a switch to the constraint. '1' means that the constraint is applied, and '0' no constraint. Since for each atomic site a different direction of the magnetic field can be applied, this scheme provides a way of studying non-collinear orbital configuration. Also, it is noted that the direction of magnetic field for orbital magnetic moment can be different from that for spin moment.