JDFTx  1.0.0
target-mu

Syntax:

target-mu <mu> [<Cinitial>=1.0] [<dnMix>=0.7]

Description:

Fixed chemical potential <mu> (instead of fixed charge) When using elec-fermi-fillings with non-zero mixInterval (deprecated), the following parameters control the convergence:

  • Cinitial: Initial capacitance, affects only first few mixing steps
  • dnMix: Scale the ideal step in n by this factor

Properties:

Requires:     elec-fermi-fillings     fluid-anion     fluid-cation

Forbids:     elec-initial-charge

Allow multiple:    no

Default:     (None)

Back to: Input file documentation or Index of commands