triqs.lattice.lattice_tools.BravaisLattice

class triqs.lattice.lattice_tools.BravaisLattice

Bravais Lattice with given unit vectors and atomic positions

Parameters:
  • units (numpy.ndarray of float, shape=(d,d), 1<=d<=3) – Matrix with unit vectors of the Bravais Lattice as rows
  • atom_orb_pos (list of three-vectors of float, optional) – The atomic orbital positions within the unit cell. Defaults to [(0,0,0)]
  • atom_orb_name (list of str, optional) – The atomic orbital names. Defaults to list of empty strings.

Methods

__init__(*args, **kwargs) Initialize self.
lattice_to_real_coordinates Signature : (r_t x) -> r_t Transform into real coordinates.

Attributes

n_orbitals Number of orbitals in the unit cell
ndim Number of dimensions
orbital_names Return the list of orbital names
orbital_positions Return the list of orbital positions
units Matrix containing lattice basis vectors as rows