PDOS_CALCULATE_WEIGHTS (.param)

Keyword type

Logical

Description

This keyword specifies whether or not the weight of the bands in each localized orbital will be calculated for the final ground state of the calculation, in order to allow a partial density of states analysis to be performed.

Default

FALSE

Example

PDOS_CALCULATE_WEIGHTS : TRUE
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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