FIX_OCCUPANCY (.param)

Keyword type

Logical

Description

This keyword specifies whether or not the occupancies of the bands should be fixed, i.e., if the system should be treated as a zero temperature insulator or a metal.

Default

FALSE

Example

FIX_OCCUPANCY : TRUE
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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