q3::HamiltonianDecay Struct Reference

#include <hamiltonian_decay.hpp>

Static Public Member Functions
static HamiltonianDecay	measured_on (const LocalOrbitalHamiltonian &hamiltonian)

Public Attributes
Real	largest_hopping = 0.0
	The largest term that varies with k: R away from the origin, or m != n on site.
Real	outermost_shell_distance = 0.0
	|R| of the outermost shell, in the lattice's length unit.
Real	outermost_shell_maximum = 0.0
	The largest Bloch-sum term w_R |H_mn(R)| on that shell, in the Hamiltonian's unit.
int	outermost_shell_size = 0
	How many lattice vectors share that distance (to the registry's shell width).
Real	ratio = 0.0
	outermost_shell_maximum / largest_hopping; zero when there is nothing to divide by.

Detailed Description

Definition at line 38 of file hamiltonian_decay.hpp.

Member Function Documentation

measured_on()

static HamiltonianDecay q3::HamiltonianDecay::measured_on ( const LocalOrbitalHamiltonian &  hamiltonian )

inlinestatic

Column-major, so an element is on the diagonal when its row is its column.

Definition at line 50 of file hamiltonian_decay.hpp.

References q3::LocalOrbitalLatticeVector::bloch_sum_weight, q3::LocalOrbitalLatticeVector::cartesian, q3::LocalOrbitalHamiltonian::hamiltonian_blocks(), largest_hopping, q3::LocalOrbitalHamiltonian::lattice_vectors(), q3::Vector3D::norm(), q3::LocalOrbitalHamiltonian::number_of_orbitals(), outermost_shell_distance, outermost_shell_maximum, outermost_shell_size, ratio, and q3::LocalOrbitalLatticeVector::translation.

Referenced by q3::WannierHamiltonianBuilder::build().

Member Data Documentation

largest_hopping

Real q3::HamiltonianDecay::largest_hopping = 0.0

The largest term that varies with k: R away from the origin, or m != n on site.

Definition at line 46 of file hamiltonian_decay.hpp.

Referenced by measured_on().

outermost_shell_distance

Real q3::HamiltonianDecay::outermost_shell_distance = 0.0

|R| of the outermost shell, in the lattice's length unit.

Definition at line 40 of file hamiltonian_decay.hpp.

Referenced by measured_on().

outermost_shell_maximum

Real q3::HamiltonianDecay::outermost_shell_maximum = 0.0

The largest Bloch-sum term w_R |H_mn(R)| on that shell, in the Hamiltonian's unit.

Definition at line 44 of file hamiltonian_decay.hpp.

Referenced by measured_on().

outermost_shell_size

int q3::HamiltonianDecay::outermost_shell_size = 0

How many lattice vectors share that distance (to the registry's shell width).

Definition at line 42 of file hamiltonian_decay.hpp.

Referenced by measured_on().

ratio

Real q3::HamiltonianDecay::ratio = 0.0

outermost_shell_maximum / largest_hopping; zero when there is nothing to divide by.

Definition at line 48 of file hamiltonian_decay.hpp.

Referenced by measured_on().

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

• src/layer_3_representation/local_orbital/hamiltonian_decay.hpp