ELECTRONIC_MINIMIZER (.param)

Keyword type

String

Description

This keyword controls the method used to minimize electronic states. Available options are:

The default values for the number of steps can be overwritten using the MAX_SD_STEPS and MAX_CG_STEPS keywords.

Default

CG

Example

ELECTRONIC_MINIMIZER : SD
See Also:

MAX_SD_STEPS
MAX_CG_STEPS
CASTEP keyword glossary
CASTEP parameters keywords

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