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'