obe_tb.hpp

#include <mpi/mpi.hpp>
#include <nda/nda.hpp>
#include <triqs/experimental.hpp>
#include <triqs/mesh/imfreq.hpp>
#include <triqs/gfs.hpp>
#include <triqs/experimental/utility/root_finder.hpp>
#include <triqs/utility/macros.hpp>
#include "downfolding.hpp"
#include "loaders.hpp"
#include "triqs_modest/utils/gf_supp.hpp"

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Classes
struct	triqs::modest::one_body_elements_tb
	A one-body elements using a tight-binding Hamiltonian. More...

Namespaces
namespace	triqs
namespace	triqs::modest

Functions
one_body_elements_tb	triqs::modest::add_local_term (one_body_elements_tb const &obe, nda::matrix< dcomplex > const &local_term)
template<typename Mesh>
double	triqs::modest::density (one_body_elements_tb const &obe, double mu, block2_gf< Mesh, matrix_valued > const &Sigma_dynamic, nda::array< nda::matrix< dcomplex >, 2 > const &Sigma_static, bz_int_options const &opt)
	Compute the density of the lattice Green's function with a self-energy.
template<typename Mesh>
double	triqs::modest::density (one_body_elements_tb const &obe, double mu, Mesh const &mesh, bz_int_options const &opt)
	Compute the density of the lattice Green's function without a self-energy.
one_body_elements_tb	triqs::modest::extend_to_spin (one_body_elements_tb const &obe)
template<typename Mesh>
double	triqs::modest::find_chemical_potential (double const target_density, one_body_elements_tb const &obe, block2_gf< Mesh, matrix_valued > const &Sigma_dynamic, nda::array< nda::matrix< dcomplex >, 2 > const &Sigma_static, bz_int_options const &opt, std::string method="dichotomy", double precision=1.e-5, bool verbosity=true)
	Find the chemical potenital from the local Green's function and self-energy given a target density.
template<typename Mesh>
double	triqs::modest::find_chemical_potential (double const target_density, one_body_elements_tb const &obe, Mesh const &mesh, bz_int_options const &opt, std::string method="dichotomy", double precision=1.e-5, bool verbosity=true)
	Find the chemical potenital from the local Green's function and self-energy given a target density.
one_body_elements_tb	triqs::modest::fold (superlattice const &sl, one_body_elements_tb const &obe)
	Convert a tight binding Hamiltonian to its superlattice equivalent.
nda::array< nda::matrix< dcomplex >, 2 >	triqs::modest::Hloc (std::vector< tb_hk > const &H_sigma, std::vector< atomic_orbs > const &atomic_shells)
	Compute \( H_{\text{loc}} = H(R=0) \) given \( n_\sigma \) tight binding Hamiltonians.
nda::array< nda::matrix< dcomplex >, 2 >	triqs::modest::impurity_levels (one_body_elements_tb const &obe)
	Compute the atomic (impurity) levels from an obe.
one_body_elements_tb	triqs::modest::rotate (one_body_elements_tb const &obe, nda::matrix< dcomplex > const &U)
	Rotate a tight-binding Hamiltonian by a unitary matrix \( U \).
OBE factories using a TB Hamiltonian
Factory functions to create one_body_elements_on_tb
one_body_elements_tb	triqs::modest::one_body_elements_from_wannier90 (std::string const &wannier_file_path, spin_kind_e spin_kind, std::vector< atomic_orbs > atomic_shells)
	Construct a one-body elements TB object from Wannier90 in the case of a single spin index.
one_body_elements_tb	triqs::modest::one_body_elements_from_wannier90 (std::string const &wannier_file_path_up, std::string const &wannier_file_path_dn, spin_kind_e spin_kind, std::vector< atomic_orbs > atomic_shells)
	Construct a one-body elements TB object from Wannier90 in the case with separate spin up/spin down channels.
Local Green's function using a TB Hamiltonian
template<typename Mesh>
block2_gf< Mesh, matrix_valued >	triqs::modest::gloc (Mesh const &mesh, one_body_elements_tb const &obe, double mu, bz_int_options const &opt)
	Compute the local Green's function without a self-energy.
template<typename Mesh>
block2_gf< Mesh, matrix_valued >	triqs::modest::gloc (one_body_elements_tb const &obe, double mu, block2_gf< Mesh, matrix_valued > const &Sigma_dynamic, nda::array< nda::matrix< dcomplex >, 2 > const &Sigma_static, bz_int_options const &opt)
	Compute the local Green's function without a self-energy.