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)- 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!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