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[doc] tight_binding, super_lattice parm types
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HugoStrand committed Apr 22, 2019
1 parent 669628d commit 24bb6eb
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Showing 2 changed files with 33 additions and 10 deletions.
19 changes: 15 additions & 4 deletions python/triqs_tprf/super_lattice.py
Original file line number Diff line number Diff line change
Expand Up @@ -49,10 +49,21 @@ class TBSuperLattice(TBLattice):
Parameters
----------
tb_lattice : The base tight binding lattice (TBLattice).
super_lattice_units : 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 : If ``true``, the hopping terms are removed inside the cluster. Useful to add Hartree Fock terms at the boundary of a cluster, e.g.
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.
"""
def __init__(self, tb_lattice, super_lattice_units, cluster_sites = None, remove_internal_hoppings = False):
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24 changes: 18 additions & 6 deletions python/triqs_tprf/tight_binding.py
Original file line number Diff line number Diff line change
Expand Up @@ -45,10 +45,20 @@ class TBLattice(object):
Parameters
----------
units : Basis vectors for the real space lattice, as a list of three tuples of double.
hopping : Dictionary with three tuple of integeers as keys, describing real space hoppings in multiples of the real space lattice basis vectors, and values being numpy ndarray hopping matrices in the orbital indices.
orbital_positions : Internal orbital positions in the unit-cell, as a list of three tuples of double.
orbital_names : List of strings of names for each orbital.
units : list of three-tuples of floats
Basis vectors for the real space lattice.
hopping : dict
Dictionary with three tuple of integeers as keys,
describing real space hoppings in multiples of
the real space lattice basis vectors, and values being
numpy ndarray hopping matrices in the orbital indices.
orbital_positions : list of three three-tuples of floats.
Internal orbital positions in the unit-cell.
orbital_names : list of strings
Names for each orbital.
"""

Expand Down Expand Up @@ -97,12 +107,14 @@ def on_mesh_brillouin_zone(self, n_k):
Parameters
----------
n_k : Number of k-points in every dimension, as a three tuple of integers.
n_k : three-tuple of ints
Number of k-points in every dimension.
Returns
-------
e_k : Reciprocal space dispersion in terms of a TRIQS Green's function object on a Brillouin Zone mesh.
e_k : TRIQS Greens function on a Brillioun zone mesh
Reciprocal space tight binding dispersion.
"""

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