MD_CELL_T (.param)

Keyword type

Real

Description

This keyword is used to set the relevant MD barostat parameters, for example Nosé-Hoover barostat mass or Langevin damping time.

This keyword is used only if MD_ENSEMBLE : NPT or NPH.

Default

10 × MD_ION_T

Example

MD_CELL_T : 2 ps

See Also:

MD_ENSEMBLE
MD_ION_T
CASTEP keyword glossary
CASTEP parameters keywords