PHONON_MAX_CYCLES (.param)

Keyword type

Integer

Description

This keyword controls the maximum number of iterations in a phonon calculation.

It might be necessary to increase this value if a low PHONON_MAX_CG_STEPS is used.

Default

50

Example

PHONON_MAX_CYCLES : 30

See Also:

PHONON_MAX_CG_STEPS
CASTEP keyword glossary
CASTEP parameters keywords