PHONON_CONVERGENCE_WIN (.param)

Keyword type

Integer

Description

This keyword determines the size of the convergence window during a phonon calculation.

The linear response convergence criteria must be met for PHONON_CONVERGENCE_WIN iterations before acceptance.

Default

2

Example

PHONON_CONVERGENCE_WIN : 4
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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