Density of States

class aimstools.density_of_states.density_of_states.DensityOfStates(outputfile)

Represents a collection of density of states calculations.

The density of states class is a wrapper for total DOS, atom-projected DOS and species-projected DOS. To access these classes individually, see TotalDOS, AtomProjectedDOS and SpeciesProjectedDOS.

>>> from aimstools import DensityOfStates as DOS
>>> dos = DOS("/path/to/outputfile")
>>> dos.plot()

Parameters:outputfile (str) – Path to output file or output directory.

atom_projected_dos

Returns AtomProjectedDOS if calculated.

dos

Returns density of states in order AtomProjectedDOS > SpeciesProjectedDOS > TotalDOS.

plot(axes=None, **kwargs)

species_projected_dos

Returns SpeciesProjectedDOS if calculated.

total_dos

Returns TotalDOS if calculated.

Subclasses

• Total Density of States
• Species-projected Density of States
• Atom-projected Density of States
• Density of States Utilities