BS_MAX_CG_STEPS (.param)

Keyword type

Integer

Description

This keyword controls the maximum number of conjugate gradient steps taken for each electronic band in the electronic minimizer before resetting to the steepest descent direction, during a band structure calculation.

Default

4

Example

BS_MAX_CG_STEPS : 10

See Also:

BS_MAX_ITER
MAX_CG_STEPS
CASTEP keyword glossary
CASTEP parameters keywords