8.9. The Chemical Potentials section

The $chemical_potentials section lists chemical potentials, used for defect formation energy calculations using the defect formation energy tool.

Currently, chemical potentials must be set ahead of time. Each chemical potential subsection may be labeled descriptively.

$chemical_potentials

begin Ga rich
Ga -3.6080
As -6.0383
Bi -4.5650
end

begin As rich
Ga -4.2543
As -5.3920
Bi -4.5650
end

$end