wulfric.Atom.magmom#
property
- property Atom.magmom: ndarray#
Magnetic moment of the atom.
It is defined as:
\[\boldsymbol{\mu} = g\mu_B \boldsymbol{S}\]Internally we use \(\mu_B = 1\), therefore the actual formula is \(\boldsymbol{\mu} = - g\boldsymbol{S}\) and magnetic moment is store in Bohr magnetons. By default g is equal to \(2\) (see
Atom.g_factor).- Returns:
- magmom(3,) numpy.ndarray
Magnetic moment of the atom.
See also
Notes
Magnetic moment is not stored internally, but rather computed from the
Atom.spin. Note that if magnetic moment is set, then the spin is changed as well:>>> from wulfric import Atom >>> atom = Atom() >>> atom.magmom array([-0., -0., -0.]) >>> atom.magmom = (1,0,0) >>> atom.spin 0.5 >>> atom.spin_vector array([-0.5, -0. , -0. ])