tbplas.FakePC

class tbplas.FakePC(num_orb: int, lat_vec: ndarray = array([[1., 0., 0.], [0., 1., 0.], [0., 0., 1.]]), unit: float = 0.1)

Base class for fake primitive cell holding the analytical Hamiltonian.

_num_orb

number of orbitals

Type:

int

_lat_vec

Cartesian coordinates of lattice vectors in NANO METER Each ROW corresponds to one lattice vector.

Type:

(3, 3) float64 array

__init__(num_orb: int, lat_vec: ndarray = array([[1., 0., 0.], [0., 1., 0.], [0., 0., 1.]]), unit: float = 0.1) → None

Parameters:

• num_orb – number of orbitals

• lat_vec – (3, 3) float64 array Cartesian coordinates of lattice vectors in arbitrary unit

• unit – conversion coefficient from arbitrary unit to NM

Returns:

None

Raises:

ValueError – if shape of lat_vec is not (3, 3)

Methods

__init__(num_orb[, lat_vec, unit])	param num_orb: number of orbitals
get_reciprocal_vectors()	Get the Cartesian coordinates of reciprocal lattice vectors in 1/NM.
sync_array()	Reserved for duck typing.

Attributes

lat_vec	Interface for the '_lat_vec' attribute.
num_orb	Interface for the '_num_orb' attribute.

__init__(num_orb: int, lat_vec: ndarray = array([[1., 0., 0.], [0., 1., 0.], [0., 0., 1.]]), unit: float = 0.1) → None

Parameters:

• num_orb – number of orbitals

• lat_vec – (3, 3) float64 array Cartesian coordinates of lattice vectors in arbitrary unit

• unit – conversion coefficient from arbitrary unit to NM

Returns:

None

Raises:

ValueError – if shape of lat_vec is not (3, 3)

get_reciprocal_vectors() → ndarray

Get the Cartesian coordinates of reciprocal lattice vectors in 1/NM.

Returns:

(3, 3) float64 array reciprocal vectors in 1/NM.

sync_array() → None

Reserved for duck typing. Actually does nothing.

__weakref__

list of weak references to the object (if defined)

property lat_vec: ndarray

Interface for the ‘_lat_vec’ attribute.

property num_orb: int

Interface for the ‘_num_orb’ attribute.