MD_THERMOSTAT (.param)

Keyword type

String

Description

This keyword determines the thermostat used for a molecular dynamics calculation. Available options are:

This parameter is used only if MD_ENSEMBLE : NVT.

Default

The default value for this parameter is Nose-Hoover.

Example

MD_THERMOSTAT : Langevin
See Also:

MD_ENSEMBLE
CASTEP keyword glossary
CASTEP parameters keywords

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