PRESSURE_UNIT (.param)

Keyword type

String

Description

This keyword specifies the units in which pressure will be reported.

The available units and their associated identifiers are:

Unit Identifier
Hartree per Bohr3 hartree/bohr**3
Electron Volts per Å3 ev/ang**3
Pascal pa
Megapascal mpa
Gigapascal gpa
Atmosphere atm
Bar bar
Megabar mbar

Default

gpa

Example

PRESSURE_UNIT : atm
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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