radtools.Kpoints#

class radtools.Kpoints(b1, b2, b3, coordinates=None, names=None, labels=None, path=None, n=100)[source]#

K-point path.

Parameters:

b1(3,) array_like: First reciprocal lattice vector \(\mathbf{b}_1\).
b2(3,) array_like: Second reciprocal lattice vector \(\mathbf{b}_2\).
b3(3,) array_like: Third reciprocal lattice vector \(\mathbf{b}_3\).
coordinateslist, optional: Coordinates are given in relative coordinates in reciprocal space.
names: list, optional: Names of the high symmetry points. Used for programming, not for plotting.
labelslist, optional: Dictionary of the high symmetry points labels for plotting. Has to have the same length as coordinates.
pathstr, optional: K points path.
nint: Number of points between each pair of the high symmetry points (high symmetry points excluded).

Attributes:

b1(3,) numpy.ndarray

First reciprocal lattice vector \(\mathbf{b}_1\).

Second reciprocal lattice vector \(\mathbf{b}_2\).

Third reciprocal lattice vector \(\mathbf{b}_3\).

hs_nameslist

Names of the high symmetry points. Used for programming, not for plotting.

hs_coordinatesdict

Dictionary of the high symmetry points coordinates.

{"name": [k_a, k_b, k_c], ... }

hs_labelsdict

Dictionary of the high symmetry points labels for plotting.

{"name": "label", ... }

Methods:

`add_hs_point`(name, coordinates, label[, ...])	Add high symmetry point.
`coordinates`([relative])	Flatten coordinates of the high symmetry points, ready to be plotted.
`flatten_points`([relative])	Flatten coordinates of all points with n points between each pair of the high symmetry points (high symmetry points excluded).
`points`([relative])	Coordinates of all points with n points between each pair of the high symmetry points (high symmetry points excluded).

Properties:

`labels`	Labels of high symmetry points, ready to be plotted.
`n`	Amount of points between each pair of the high symmetry points (high symmetry points excluded).
`path`	K points path.
`path_string`	K points path as a string.