triqs::modest::band_dispersion

#include <triqs_modest/downfolding.hpp>

Detailed Description

The one-body dispersion as a function of momentum.

The band dispersion in momentum space.

A band dispersion containing the DFT band structure ε(ν,k,σ), weights in the Brillouin zone, and the spin kind used in the DFT calculation.

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 \(\ket{\phi_{\nu\mathbf{k}}}\) with corresponding eigenvalues ( \(\varepsilon_{\nu\mathbf{k}}^{\sigma}\)).

Definition at line 27 of file downfolding.hpp.

Public Member Functions
nda::matrix_const_view< dcomplex >	H (long sigma, long k_idx) const
	H^σ(k)_ν, returned as a MATRIX in (ν, ν)
long	n_k () const
	Number of k points in the grid.
long	N_nu (long sigma, long k_idx) const
	Number of bands #ν

Public Attributes
nda::array< dcomplex, 4 >	H_k
	H_k [k_idx, σ', nu, nu'].
nda::array< double, 1 >	k_weights
	k_weights[k_idx]
bool	matrix_valued
	Is the dispersion matrix-valued?
nda::array< long, 2 >	n_bands_per_k
	n_bands_per_k [k_idx, σ'] = # of nu
spin_kind_e	spin_kind
	Spin kind of the one-body data.

Friends
std::ostream &	operator<< (std::ostream &out, band_dispersion const &bd)
	printing

Member Function Documentation

H()

nda::matrix_const_view< dcomplex > triqs::modest::band_dispersion::H ( long  sigma, long  k_idx  ) const

inline

H^σ(k)_ν, returned as a MATRIX in (ν, ν)

Definition at line 46 of file downfolding.hpp.

n_k()

long triqs::modest::band_dispersion::n_k ( ) const

inline

Number of k points in the grid.

Definition at line 56 of file downfolding.hpp.

N_nu()

long triqs::modest::band_dispersion::N_nu ( long  sigma, long  k_idx  ) const

inline

Number of bands #ν

Definition at line 53 of file downfolding.hpp.

Friends And Related Symbol Documentation

operator<<

std::ostream & operator<< ( std::ostream &  out, band_dispersion const &  bd  )

friend

printing

Definition at line 14 of file printing.cpp.

Member Data Documentation

H_k

nda::array<dcomplex, 4> triqs::modest::band_dispersion::H_k

H_k [k_idx, σ', nu, nu'].

Definition at line 29 of file downfolding.hpp.

k_weights

nda::array<double, 1> triqs::modest::band_dispersion::k_weights

k_weights[k_idx]

Definition at line 31 of file downfolding.hpp.

matrix_valued

bool triqs::modest::band_dispersion::matrix_valued

Is the dispersion matrix-valued?

Definition at line 32 of file downfolding.hpp.

n_bands_per_k

nda::array<long, 2> triqs::modest::band_dispersion::n_bands_per_k

n_bands_per_k [k_idx, σ'] = # of nu

Definition at line 30 of file downfolding.hpp.

spin_kind

spin_kind_e triqs::modest::band_dispersion::spin_kind

Spin kind of the one-body data.

Definition at line 28 of file downfolding.hpp.

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The documentation for this class was generated from the following file:

• triqs_modest/downfolding.hpp