triqs.lattice.super_lattice.TBSuperLattice
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class
triqs.lattice.super_lattice.TBSuperLattice(tb_lattice, super_lattice_units, cluster_sites=None, remove_internal_hoppings=False)[source] Builds a superlattice on top of a base TBLattice.
Parameters: - tb_lattice (TBLattice instance) – The base tight binding lattice.
- super_lattice_units (ndarray (2D)) – The unit vectors of the superlattice in the
tb_lattice(integer) coordinates. - cluster_sites – Coordinates of the cluster in tb_lattice coordinates.
If
None, an automatic computation of cluster positions is made as follows: it takes all points whose coordinates in the basis of the superlattice are in [0, 1[^dimension. - remove_internal_hoppings (bool) – If
true, the hopping terms are removed inside the cluster. Useful to add Hartree Fock terms at the boundary of a cluster, e.g.
Methods
__init__(tb_lattice, super_lattice_units[, ...]) |
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change_coordinates_L_to_SL(x) |
Given a point on the tb_lattice in lattice coordinates, returns its coordinates (R, alpha) in the Superlattice | ||
change_coordinates_SL_to_L(R, alpha) |
Given a point in the supercell R, site (number) alpha, it computes its position on the tb_lattice in lattice coordinates | ||
cluster_sites() |
Generate the position of the cluster site in the tb_lattice coordinates. | ||
dispersion(arg) |
Evaluate the dispersion relation for a momentum vector k in units of the reciprocal lattice vectors | ||
fold(D1[, remove_internal, create_zero]) |
Input: a function r-> f(r) on the tb_lattice given as a dictionnary Output: the function R-> F(R) folded on the superlattice. | ||
fourier(arg) |
Evaluate the fourier transform for a momentum vector k in units of the reciprocal lattice vectors | ||
get_kmesh(n_k) |
Return a mesh on the Brillouin zone with a given discretization | ||
get_rmesh(n_r) |
Return a mesh on the Bravais lattice with a given periodicity | ||
lattice_to_real_coordinates(x) |
Signature : (r_t x) -> r_t Transform into real coordinates. | ||
pack_index_site_orbital(n_site, n_orbital) |
nsite and n_orbital must start at 0 | ||
unpack_index_site_orbital(index) |
Inverse of pack_index_site_orbital |
Attributes
hoppings |
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n_orbitals |
Number of orbitals in the unit cell |
ndim |
Number of dimensions of the lattice |
orbital_names |
The list of orbital names |
orbital_positions |
The list of orbital positions |
units |
Number of dimensions of the lattice |