Features#

ForceConstantFeature(supercell, delta[, …])

The matlantis-feature for calculating the force constant for the given structure.

PostFeatures#

PostPhononBandFeature()

The matlantis-feature for calculating the phonon band structure.

PostPhononDOSFeature([partial])

The matlantis-feature for calculating the phonon DOS from the force constant.

PostPhononModeFeature()

The matlantis-feature to visualize how atoms move under a certain phonon mode.

PostPhononThermochemistryFeature()

The matlantis-feature for calculating thermochemistry properties from phonon.

PostPhononQHAGibbsFeature()

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

Modules#

matlantis_features.features.phonon.band

matlantis_features.features.phonon.dos

matlantis_features.features.phonon.force_constant

matlantis_features.features.phonon.mode

matlantis_features.features.phonon.symmetry

matlantis_features.features.phonon.thermo

matlantis_features.features.phonon.qha_gibbs_free_energy

matlantis_features.features.phonon.utils