BS_MAX_ITER (.param)

Keyword type

Integer

Description

This keyword controls the maximum number of iterations to perform when calculating band structure.

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

Default

60

Example

BS_MAX_ITER : 50

See Also:

BS_MAX_CG_STEPS
CASTEP keyword glossary
CASTEP parameters keywords