PlainCohpPlotter

PlainCohpPlotter#

class lobsterpy.plotting.PlainCohpPlotter(zero_at_efermi=True, are_coops=False, are_cobis=False)[source]#

Bases: CohpPlotter

Modified Pymatgen CohpPlotter with styling removed.

This allows the styling to be manipulated more easily using matplotlib style sheets.

Parameters:
  • zero_at_efermi – Shift all populations to have zero energy at the Fermi level. Defaults to True.

  • are_coops – Bool indicating that populations are COOPs, not COHPs. Defaults to False for COHPs.

  • are_cobis – Bool indicating that populations are COBIs, not COHPs. Defaults to False for COHPs.

get_plot(ax=None, xlim=None, ylim=None, plot_negative=None, integrated=False, invert_axes=True, sigma=None)[source]#

Get a matplotlib plot showing the COHP.

Parameters:
  • ax (Axes | None) – Existing Matplotlib Axes object to plot to.

  • xlim (tuple[float, float] | None) – Specifies the x-axis limits. Defaults to None for automatic determination.

  • ylim (tuple[float, float] | None) – Specifies the y-axis limits. Defaults to None for automatic determination.

  • plot_negative (bool | None) – It is common to plot -COHP(E) so that the sign means the same for COOPs and COHPs. Defaults to None for automatic determination: If are_coops is True, this will be set to False, else it will be set to True.

  • integrated (bool) – Switch to plot ICOHPs. Defaults to False.

  • invert_axes (bool) – Put the energies onto the y-axis, which is common in chemistry.

  • sigma (float | None) – Standard deviation of Gaussian broadening applied to population data. If this is unset (None) no broadening will be added.

Returns:

A matplotlib object.