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) |
|
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 |