NUP (.param)

Keyword type

Real

This keyword determines the total number of up-spin electrons.

This parameter is used only if SPIN_POLARIZED = TRUE.

If the SPIN has been specified then:

	NUP : (NELECTRONS + SPIN)/2

If neither NUP nor SPIN have been specified:

	NUP : NELECTRONS/2

NUP : 12