MD_TEMPERATURE (.param)

Keyword type

Real

Description

This keyword determines the temperature for a molecular dynamics calculation.

This parameter is used only if MD_ENSEMBLE : NVT.

Default

The default value for this parameter is 300 K.

Example

MD_ENSEMBLE : 275.4 K
See Also:

MD_ENSEMBLE
CASTEP keyword glossary
CASTEP parameters keywords

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