sisl.physics.WideBandSE
- class sisl.physics.WideBandSE(spgeom, eta: float)
Bases:
SelfEnergy
Self-energy object with a wide-band electronic structure
Such a self-energy only have imaginary components on the diagonal, with all of them being equal to the eta value.
- Parameters:
spgeom (
SparseGeometry
orint
) – for a SparseGeometry only the length will be queried.eta – the imaginary part (\(\eta\)) of the self-energy
Methods
broadening_matrix
([E])Calculate the broadening matrix by first calculating the self-energy
se2broadening
(SE)Calculate the broadening matrix from the self-energy
self_energy
(*args, **kwargs)Return a dense matrix with the self-energy
- broadening_matrix(E=0.0, *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!See also
se2broadening
converting the self-energy to the broadening matrix
self_energy
the used routine to calculate the self-energy before calculating the broadening matrix
- static se2broadening(SE)
Calculate the broadening matrix from the self-energy
\[\boldsymbol\Gamma = i(\boldsymbol\Sigma - \boldsymbol \Sigma ^\dagger)\]- Parameters:
SE (
matrix
) – self-energy matrix