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