FORCE_CONSTANT_UNIT (.param)

Keyword type

String

Description

This keyword specifies the units in which force constants will be reported.

The available units and their associated identifiers are:

Unit Identifier
Hartree per Bohr2 hartree/bohr**2
Electron Volts per Å2 ev/ang**2
Newton per meter n/m
Dynes per centimeter dyne/cm

Default

ev/ang**2

Example

FORCE_CONSTANT_UNIT : n/m
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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