EFERMI_TOL (.param)

Keyword type

Real

Description

This keyword controls the tolerance for accepting convergence of the Fermi-energy if the system is being treated as a metal.

This parameter is used only if FIX_OCCUPANCY : FALSE.

Default

0.1 × ELEC_EIGENVALUE_TOL

Example

EFERMI_TOL : 0.0000007 eV
See Also:

FIX_OCCUPANCY
ELEC_EIGENVALUE_TOL
CASTEP keyword glossary
CASTEP parameters keywords

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