NUP (.param)

Keyword type

Real

Description

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

This parameter is used only if SPIN_POLARIZED = TRUE.

Default

If the SPIN has been specified then:

	NUP : (NELECTRONS + SPIN)/2

If neither NUP nor SPIN have been specified:

	NUP : NELECTRONS/2

Example

NUP : 12
See Also:

SPIN
SPIN_POLARIZED
NELECTRONS
NDOWN
CASTEP keyword glossary
CASTEP parameters keywords

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