SMEARING_SCHEME (.param)

Keyword type

String

Description

This keyword determines the Fermi-surface smearing scheme to be used if the system is being treated as a metal. Available options are:

This parameter is used only if FIX_OCCUPANCY : FALSE.

Default

Gaussian

Example

SMEARING_SCHEME : ColdSmearing
See Also:

FIX_OCCUPANCY
CASTEP keyword glossary
CASTEP parameters keywords

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