PHONON_FORCE_CONSTANT_CUTOFF (.param)

Keyword type

Real

Description

This keyword specifies the cutoff for the force constant matrix in a phonon calculation on a fine grid with supercell method.

Default

0.0

Example

PHONON_FORCE_CONSTANT_CUTOFF : 6.34 ang

See Also:

PHONON_SUPERCELL_MATRIX
CASTEP keyword glossary
CASTEP parameters keywords