sisl.physics.SelfEnergy

class sisl.physics.SelfEnergy(*args, **kwargs)

Bases: object

Self-energy object able to calculate the dense self-energy for a given sparse matrix

The self-energy object contains a SparseGeometry object which, in it-self contains the geometry.

This is the base class for self-energies.

Methods

`broadening_matrix`(args, *kwargs)	Calculate the broadening matrix by first calculating the self-energy
`se2broadening`(SE)	Calculate the broadening matrix from the self-energy
`self_energy`(args, *kwargs)

__init__(*args, **kwargs)[source]: Self-energy class for constructing a self-energy.

broadening_matrix(*args, **kwargs)[source]

Calculate the broadening matrix by first calculating the self-energy

Any arguments that is passed to this method is directly passed to self_energy.

See self_energy for details.

This corresponds to:

\[\boldsymbol\Gamma = i(\boldsymbol\Sigma - \boldsymbol \Sigma ^\dagger)\]

Examples

Calculating both the self-energy and the broadening matrix.

>>> SE = SelfEnergy(...)
>>> self_energy = SE.self_energy(0.1)
>>> gamma = SE.broadening_matrix(0.1)

For a huge performance boost, please do:

>>> SE = SelfEnergy(...)
>>> self_energy = SE.self_energy(0.1)
>>> gamma = SE.se2broadening(self_energy)

Notes

When using both the self-energy and the broadening matrix please use se2broadening after having calculated the self-energy, this will be much, MUCH faster!