sisl.io.siesta.bandsSileSiesta

class sisl.io.siesta.bandsSileSiesta

Bases: SileSiesta

Bandstructure information

Plotting

`plot`	Plotting functions for the `bandsSileSiesta` class.
`plot.bands`(*[, Erange, E0, ...])	Creates a `BandsData` object and then plots a `BandsPlot` from it.

Methods

`base_directory`([relative_to])	Retrieve the base directory of the file, relative to the path relative_to
`close`()
`dir_file`([filename, filename_base])	File of the current Sile
`read`(args, *kwargs)	Generic read method which should be overloaded in child-classes
`read_data`([as_dataarray])	Returns data associated with the bands file
`read_fermi_level`()	Returns the Fermi level in the bands file
`write`(args, *kwargs)	Generic write method which should be overloaded in child-classes

Attributes

`base_file`	File of the current Sile
`file`	File of the current Sile

base_directory(relative_to='.'): Retrieve the base directory of the file, relative to the path relative_to

close()

dir_file(filename=None, filename_base=''): File of the current Sile

plot.bands(*, Erange=None, E0=0.0, E_axis='y', bands_range=None, spin=None, bands_style={'color': 'black', 'dash': 'solid', 'opacity': 1, 'width': 1}, spindown_style={'color': 'blue', 'width': 1}, colorscale=None, gap=False, gap_tol=0.01, gap_color='red', gap_marker={'size': 7}, direct_gaps_only=False, custom_gaps=[], line_mode='line', group_legend=True, backend='plotly')

Creates a BandsData object and then plots a BandsPlot from it.

Parameters:

Erange (Optional[tuple[float, float]]) – The energy range to plot. If None, the range is determined by bands_range.
E0 (float) – The energy reference.
E_axis (Literal['x', 'y']) – Axis to plot the energies.
bands_range (Optional[tuple[int, int]]) – The bands to plot. Only used if Erange is None. If None, the 15 bands above and below the Fermi level are plotted.
spin (Optional[Literal[0, 1]]) – Which spin channel to display. Only meaningful for spin-polarized calculations. If None and the calculation is spin polarized, both are plotted.
bands_style (StyleSpec) – Styling attributes for bands.
spindown_style (StyleSpec) – Styling attributes for the spin down bands (if present). Any missing attribute will be taken from bands_style.
colorscale (Optional[Colorscale]) – Colorscale to use for the bands in case the color attribute is an array of values. If None, the default colorscale is used for each backend.
gap (bool) – Whether to display the gap.
gap_tol (float) – Tolerance in k for determining whether two gaps are the same.
gap_color (str) – Color of the gap.
gap_marker (dict) – Marker styles for the gap (as plotly marker’s styles).
direct_gaps_only (bool) – Whether to only display direct gaps.
custom_gaps (Sequence[dict]) – List of custom gaps to display. See the showcase notebooks for examples.
line_mode (Literal['line', 'scatter', 'area_line']) – The method used to draw the band lines.
group_legend (bool) –
Whether to group all bands in the legend to show a single legend item.

If the bands are spin polarized, bands are grouped by spin channel.
backend (str) – The backend to use to generate the figure.

Return type:

BandsPlot