tightbinder.result.State#

class State(eigenvector, system)[source]#

Bases: object

The State class is defined to separate part of the functionality of the Spectrum class to the eigenstates themselves.

Parameters:

eigenvector (ndarray) – Array with coefficients of eigenvector.
system (System) – System object.

Methods

`atomic_amplitude`	Method to obtain the probability amplitude corresponding to each atom.
`compute_ipr`	Method to compute the inverse participation ratio (IPR) for the state.
`compute_occupation`	Method to compute which percentage of the atomic amplitude is located at the given list of atoms.
`compute_spin_projection`	TODO compute_spin_projection.
`plot_amplitude`	Method to plot the atomic amplitude of the state on top of the crystalline positions.

atomic_amplitude()[source]#: Method to obtain the probability amplitude corresponding to each atom. :rtype: None :return: Array with the probability of finding the electron on each atom (i.e. ordered by atoms like motif).

compute_ipr()[source]#

Method to compute the inverse participation ratio (IPR) for the state.

Return type:: float
Returns:: IPR of state.

compute_occupation(atoms_indices)[source]#

Method to compute which percentage of the atomic amplitude is located at the given list of atoms.

Parameters:: atom_indices – List of indices of atoms where we want to compute the occupation.
Return type:: float

compute_spin_projection(axis='z')[source]#

TODO compute_spin_projection. Method to compute the expected value of any of the three spin operators Sx, Sy or Sz. All calculations are done supposing that the original atomic basis for the tight-binding is written using the z projection of the spin (if the calculation is spinful).

Parameters:: axis (str) – ‘x’, ‘y’ or ‘z’.
Returns:: Expected value of spin along the given direction.

plot_amplitude(ax=None, title=None, linewidth=1, bonds=True, factor=200)[source]#

Method to plot the atomic amplitude of the state on top of the crystalline positions.

Parameters:

ax (Axes) – Axes object to plot the amplitude. Defaults to None.
title (str) – Plot title. Defaults to None.
linewidth (int) – Change width of bonds if present. Defaults to 1.
bonds (bool) – Toggle on/off bonds between atoms. Defaults to True.
factor (int) – To scale the amplitude up or down.