PostFeatures

PostPhononQHAGibbsFeature()

The matlantis-feature for calculating Gibbs free energy from Quasi-harmonic approximation.

FeatureResults

PostPhononQHAGibbsFeatureResult(…)

A dataclass for result of PostPhononQHAGibbsFeatureResult.

Functions

draw_phase_diagram(labels, gibbs_free_energies)

Draw the phase diagram from the Gibbs free energy obtained from PostPhononQHAGibbsFeature.