FINE_GMAX (.param)

Keyword type

Real

Description

This keyword determines the maximum size of the g-vectors included in the fine grid.

The fine grid is set up such that all g-vectors with |g| less than or equal to FINE_GMAX are included.

Default

-1 a0-1 - this results in the fine and standard grids being identical

Example

FINE_GMAX : 20 1/ang

There is a more convenient way of dealing with fine grid using dimensionless parameter FINE_GRID_SCALE which defines FINE_GMAX in terms of standard grid GMAX.

See Also:

CASTEP keyword glossary
CASTEP parameters keywords

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