q3::ResolvedKPointNeighbor Struct Reference

#include <kpoint_neighbor_shells.hpp>

Public Attributes
int	neighbor_kpoint_index = 0
IntegerVector3D	periodic_image_shift

Detailed Description

The k-point and reciprocal-lattice-vector shift a neighbor direction resolves to, starting from a specific physical k-point on the grid.

Definition at line 58 of file kpoint_neighbor_shells.hpp.

Member Data Documentation

neighbor_kpoint_index

int q3::ResolvedKPointNeighbor::neighbor_kpoint_index = 0

Definition at line 59 of file kpoint_neighbor_shells.hpp.

Referenced by q3::KPointNeighborShells::resolve_neighbor(), q3::Wannier90FormatWriter::write_neighbor_list(), and q3::Wannier90FormatWriter::write_overlaps().

periodic_image_shift

IntegerVector3D q3::ResolvedKPointNeighbor::periodic_image_shift

Integer reciprocal-lattice-vector (Miller-index) shift: the physical k-point at neighbor_kpoint_index plus this shift, in reciprocal lattice vector units, equals the starting k-point plus the unwrapped Cartesian translation.

Definition at line 66 of file kpoint_neighbor_shells.hpp.

Referenced by q3::KPointNeighborShells::resolve_neighbor(), q3::Wannier90FormatWriter::write_neighbor_list(), and q3::Wannier90FormatWriter::write_overlaps().

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

• src/layer_1_structure/reciprocal_space/kpoint_neighbor_shells.hpp