CALCULATE_DENSDIFF (.param)

Keyword type

Logical

Description

This keyword controls whether or not a calculation of the density difference with respect to the sum of atomic densities will be performed.

TRUE means that the density difference will be calculated and saved in a binary file seed.chdiff.

Default

FALSE

Example

CALCULATE_DENSDIFF : TRUE
See Also:

TASK
CASTEP keyword glossary
CASTEP parameters keywords

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