ALPHA

alpha spin [Edit on GitHub]

Keywords

• L

• N

• NEL

Keyword descriptions

L

Type: integer[ ]
Default: -1
Aliases: L
Usage: L 2

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

N

Type: integer[ ]
Default: 0
Aliases: N
Usage: N 2

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

NEL

Type: integer[ ]
Default: -1
Usage: NEL 2

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