Plotting

plot_dos(result: DOSResult, *, ef: float = 0.0, components: list[int] | None = None, system_total: bool = True, spin: str | None = None, orbitals: list[str] | None = None, energy_unit: str = 'Ry', figsize: tuple[float, float] = (3.4, 2.6)) -> Figure

Plot density of states curves.

Parameters:

Name	Type	Description	Default
result	DOSResult	Parsed DOS result.	required
ef	float	Fermi energy in Ry, subtracted from the energy axis.	0.0
components	list[int] | None	Component indices to plot. Defaults to all components.	None
system_total	bool	Add the total system DOS on top of the component curves.	True
spin	str | None	Spin channel to plot — "up", "down", or None for both.	None
orbitals	list[str] | None	Which orbital DOS to include, any subset of ["s", "p", "d", "f", "total"]. Defaults to ["total"]. Pass [] to hide component curves and show only system_total.	None
energy_unit	str	"Ry" or "eV" (converts with 1 Ry = 13.6057 eV).	'Ry'
figsize	tuple[float, float]	Matplotlib figure size (width, height) in inches.	(3.4, 2.6)

Returns:

Type	Description
Figure	The populated Matplotlib figure.

plot_convergence(result: GOResult, *, field: str = 'rms_error', figsize: tuple[float, float] = (3.4, 2.6)) -> Figure

Plot GO convergence history.

Parameters:

Name	Type	Description	Default
result	GOResult	Parsed GO result.	required
field	str	Which iteration field to plot — "rms_error", "moment", "total_energy", "total_energy_ev", or "neu".	'rms_error'
figsize	tuple[float, float]	Matplotlib figure size (width, height) in inches.	(3.4, 2.6)

Returns:

Type	Description
Figure	The populated Matplotlib figure.

plot_bsf(result: SPCResult, *, spin: str | None = None, ef: float = 0.0, energy_unit: str = 'Ry', cmap: str = 'YlGnBu', vmax: float | None = None, figsize: tuple[float, float] | None = None) -> Figure

Plot the Bloch spectral function (BSF) as a k-path heatmap.

Parameters:

Name	Type	Description	Default
result	SPCResult	Parsed SPC result.	required
spin	str | None	Spin channel to plot — "up", "down", or None for both (rendered as side-by-side subplots when both channels are present).	None
ef	float	Fermi energy in Ry, subtracted from the energy axis.	0.0
energy_unit	str	"Ry" or "eV" (converts with 1 Ry = 13.6057 eV).	'Ry'
cmap	str	Matplotlib colormap name for the BSF intensity heatmap.	'YlGnBu'
vmax	float | None	Upper color-scale bound. Defaults to the 99.5th percentile of the intensity data when not given, so a few bright outlier pixels don't wash out the contrast.	None
figsize	tuple[float, float] | None	Matplotlib figure size (width, height) in inches. Defaults to (3.4, 2.6) for a single channel, or double that width when both channels are rendered side by side.	None

Returns:

Type	Description
Figure	The populated Matplotlib figure. A placeholder figure is returned
Figure	(instead of raising) when the requested channel's spectral data is
Figure	unavailable or its k-path was not computed.