triqs.lattice.lattice_tools

Bravais lattices, Brillouin zones and tight-binding Hamiltonians.

The lattice tools provide classes to describe crystal lattices in real and reciprocal space, and to build tight-binding Hamiltonians on top of them. The main classes are:

• BravaisLattice: A Bravais lattice in 1, 2 or 3 dimensions, defined by a set of basis vectors and the positions of (optionally named) atomic orbitals within the unit cell.

• BrillouinZone: The first Brillouin zone of a given Bravais lattice, defined by the corresponding reciprocal-space basis vectors.

• TightBinding: A tight-binding Hamiltonian on a Bravais lattice, parameterised by lattice displacements and the associated hopping (overlap) matrices between orbitals. It provides the Fourier transform to reciprocal space, dispersion (band-structure) calculations on Brillouin zone meshes and integration with the TRIQS Green’s function framework.

Functions

dos	Compute the density of states of a tight-binding Hamiltonian on a regular k-grid.
dos_patch	Compute the density of states of a tight-binding Hamiltonian on a triangular Brillouin zone patch.

Classes

BravaisLattice	A Bravais lattice class.
BrillouinZone	A Brillouin zone class.
TightBinding	Tight-binding Hamiltonian on a Bravais lattice with fully localised orbitals.