JDFTx  1.0.0
elec-fermi-fillings

Syntax:

elec-fermi-fillings <mixInterval> <kT> [<alpha>=0.5]

Description:

Fermi-Dirac fillings at a temperature <kT> (in Hartrees). If <mixInterval> is zero, use the auxilliary hamiltonian method (recommended). Else, mix fermi functions every <mixInterval> iterations with mixing fraction <alpha>.

Properties:

Requires:     lcao-params

Forbids:     fix-electron-density     fix-electron-potential

Allow multiple:    no

Default:     (None)

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