triqs.lattice.super_lattice.TBSuperLattice

class triqs.lattice.super_lattice.TBSuperLattice(tb_lattice, super_lattice_units, cluster_sites=None, remove_internal_hoppings=False)[source]

Bases: TBLattice

A tight-binding superlattice built on top of a base TBLattice.

Parameters:

tb_latticeTBLattice: The base tight-binding TBLattice.
super_lattice_unitsnumpy.ndarray: Two-dimensional (ndim, ndim) array giving the superlattice basis vectors in the tb_lattice (integer) coordinates.
cluster_siteslist of array-like of int, optional: Coordinates of the cluster in tb_lattice coordinates. If None, cluster positions are computed automatically as all points whose coordinates in the superlattice basis lie in [0, 1) along each dimension.
remove_internal_hoppingsbool, default False: If True, hopping terms inside the cluster are removed. Useful e.g. when adding Hartree-Fock terms at a cluster boundary.

Attributes

Norb	(int) Total number of orbitals in the supercell (`n_orbitals * Ncluster_sites`).
Ncluster_sites	(int) Number of sites in the cluster.

Methods

`change_coordinates_L_to_SL`(x)	Map a base-lattice point `x` (in lattice coordinates) to its superlattice coordinates `(R, alpha)`.
`change_coordinates_SL_to_L`(R, alpha)	Map a superlattice point `(R, alpha)` to its position on the base lattice in lattice coordinates.
`cluster_sites`()	Yield each cluster-site position in base-lattice coordinates.
`fold`(D1[, remove_internal, create_zero])	Fold a real-space function defined on the base lattice onto the superlattice.
`pack_index_site_orbital`(n_site, n_orbital)	Combine a (site, orbital) index pair into a single superlattice orbital index.
`unpack_index_site_orbital`(index)	Split a superlattice orbital index back into a `(n_site, n_orbital)` pair (inverse of `pack_index_site_orbital()`).