MD_EQM_ION_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_ION_T.
Example
MD_EQM_ION_T : 0.5 ps
See Also:
MD_EQM_METHOD
MD_ION_T
CASTEP keyword glossary
CASTEP parameters keywords