FIX_COM (.cell)

Keyword type

Logical

Description

This keyword controls whether or not the center of mass of the ions remains fixed during relaxation or molecular dynamics.

Default

If FIX_ALL_IONS : FALSE then the default value is TRUE.

Example

FIX_COM : TRUE
See Also:

CASTEP keyword glossary
CASTEP cell keywords and data blocks

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