ALPHA

alpha spin [Edit on GitHub]

Keywords

• L

• N

• NEL

Keyword descriptions

L: integer = -1

Aliases: L

Usage: L 2

Angular momentum quantum number of the orbitals whose occupation is changed [Edit on GitHub]

N: integer = 0

Aliases: N

Usage: N 2

Principal quantum number of the orbitals whose occupation is changed. Default is the first not occupied [Edit on GitHub]

NEL: integer = -1

Usage: NEL 2

Orbital ccupation change per angular momentum quantum number. In unrestricted calculations applied to spin alpha. [Edit on GitHub]