TRIQS/triqs_modest 3.3.0
Modular Electronic Structure Toolkit
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obe_tb.cpp
#include <nda/layout/range.hpp>
#include <nda/matrix_functions.hpp>
#include <triqs/gfs.hpp>
#include <triqs/utility/exceptions.hpp>
#include <type_traits>
#include <triqs/experimental/lattice/wannier_loader.hpp>
#include <stdexcept>
#include "./obe_tb.hpp"
#include "triqs_modest/utils/defs.hpp"

Go to the source code of this file.

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)
one_body_elements_tb triqs::modest::extend_to_spin (one_body_elements_tb const &obe)
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.