MAX_DIIS_STEPS (.param)

Keyword type

Integer

Description

This keyword determines the maximum number of RMM/DIIS steps in an SCF cycle.

Default

The default depends on the value of ELECTRONIC_MINIMIZER:

If ELECTRONIC_MINIMIZER is not defined, the default is 0.

Example

MAX_DIIS_STEPS : 5
See Also:

ELECTRONIC_MINIMIZER
CASTEP keyword glossary
CASTEP parameters keywords

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