PAOFLOW.transport.calculators.broadening#

Lead broadening observable helpers.

Functions#

compute_broadening_matrix(self_energy)

Compute the lead broadening matrix from a retarded self-energy.

Module Contents#

PAOFLOW.transport.calculators.broadening.compute_broadening_matrix(self_energy)[source]#

Compute the lead broadening matrix from a retarded self-energy.

Parameters:

self_energy (NDArray[np.complex128]) – Retarded lead self-energy \(\Sigma\) with shape (dimC, dimC).

Returns:

Broadening matrix \(\Gamma = i(\Sigma - \Sigma^\dagger)\) with shape (dimC, dimC).

Return type:

NDArray[np.complex128]

Notes

This preserves the exact broadening definition already used in the conductor workflow.