MD_EQM_CELL_T (.param)

Keyword type

Real

Description

This keyword is used to set the MD barostat parameter for use in enhanced MD equilibration method (when MD_EQM_METHOD is not set to NONE).

Default

By default this has the same value as MD_CELL_T.

Example

MD_EQM_CELL_T : 2 ps
See Also:

MD_EQM_METHOD
MD_CELL_T
CASTEP keyword glossary
CASTEP parameters keywords

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