Element-projected phonon DOS and bandstructure

[janosh]

the phonon_dos and phonon_bands functions should be upgraded to handle element-projected DOS and band structures

pymatviz/pymatviz/phonons.py

Lines 326 to 343 in 82c087b

	def phonon_dos(
	doses: PhononDos | dict[str, PhononDos],
	*,
	stack: bool = False,
	sigma: float = 0,
	units: Literal["THz", "eV", "meV", "Ha", "cm-1"] = "THz",
	normalize: Literal["max", "sum", "integral"] | None = None,
	last_peak_anno: str | None = None,
	**kwargs: Any,
	) -> go.Figure:
	"""Plot phonon DOS using Plotly.
	Args:
	doses (PhononDos | dict[str, PhononDos]): PhononDos or dict of multiple.
	stack (bool): Whether to plot the DOS as a stacked area graph. Defaults to
	False.
	sigma (float): Standard deviation for Gaussian smearing. Defaults to None.
	units (str): Units for the frequencies. Defaults to "THz".

pymatviz/pymatviz/phonons.py

Lines 155 to 171 in 82c087b

	def phonon_bands(
	band_structs: PhononBands | dict[str, PhononBands],
	line_kwargs: dict[str, Any] | None = None,
	branches: Sequence[str] = (),
	branch_mode: BranchMode = "union",
	shaded_ys: dict[tuple[YMin | YMax, YMin | YMax], dict[str, Any]]
	| bool
	| None = None,
	**kwargs: Any,
	) -> go.Figure:
	"""Plot single or multiple pymatgen band structures using Plotly, focusing on the
	minimum set of overlapping branches.
	Warning: Only tested with phonon band structures so far but plan is to extend to
	electronic band structures.
	Args:

example of what this could look like from abipy: