triqs_modest.obe.BandDispersion

class triqs_modest.obe.BandDispersion

The one-body dispersion as a function of momentum.

The band dispersion typically corresponds to the solution of a (Kohn-Sham) Hamiltonian which has been diagonalized in momentum space and formulated in a basis of Bloch states \(| \phi_{\nu\mathbf{k}} \rangle\) with corresponding eigenvalues (\(\varepsilon_{\nu\mathbf{k}}^{\sigma}\)).

A band dispersion object contains the DFT band structure \(\varepsilon_{\nu\mathbf{k}}^{\sigma}\), weights in the Brillouin zone, and the spin kind used in the DFT calculation.

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Synthesized constructor with the following keyword arguments:

Parameters:

spin_kindstr {“Polarized”, “NonPolarized”, “NonColinear”}

H_kndarray[complex, 4]

n_bands_per_kndarray[int, 2]

k_weightsndarray[float, 1]

matrix_valuedbool

Attributes

H_k	Hamiltonian \(H^{\sigma}_{\nu\nu'}(\mathbf{k})\).
k_weights	Weight in the BZ for each k-point.
matrix_valued	Is the dispersion matrix-valued?
n_bands_per_k	Number of bands for each k-point and \(\sigma\).
n_k	Number of k-points in the grid.
spin_kind	Spin kind of the one-body data.

Methods

H	Get \(H^{\sigma}_{\nu\nu'}(\mathbf{k})\) for a given \(\mathbf{k}\) and \(\sigma\).
N_nu	Number of bands for a given k-point and spin \(\sigma\).