BETA

beta spin [Edit on GitHub]

Keywords

• L

• N

• NEL

Keyword descriptions

L: integer = -1

Usage: L 2

Angular momentum quantum number of the orbitals of beta spin whose occupation is changed. Active only for unrestricted calculations [Edit on GitHub]

N: integer = 0

Usage: N 2

Principal quantum number of the orbitals of beta spin whose occupation is changed. Default is the first not occupied. Active only for unrestricted calculations [Edit on GitHub]

NEL: integer = -1

Usage: NEL 2

Orbital ccupation change per angular momentum quantum number. Applied to spin beta and active only in unrestricted calculations. [Edit on GitHub]