Parameters for calculating spinPolarization
calculation.spinPolarization.whatProjected
keyword: calculation.spinPolarization.whatProjected
possible values: ‘Ell’, ‘Orbital’, ‘Atom’, ‘Grid’, ‘None’
default value: ‘None’
description: If ‘Ell’, spin polarization of the electrons with the given angular momentum will be calculated. If ‘Orbital’ or ‘Atom’, spin polarization of the electrons of the listed orbitals or atoms will be calculated. If ‘Grid’, spin polarization of the charge in the listed grids will be calculated. If ‘None’, spin polarization of the total electrons will be calculated.
an example:
calculation.spinPolarization.whatProjected = 'Ell'