grogupy.physics.Kspace

class grogupy.physics.Kspace(kset: list[int] | ndarray[Any, dtype[_ScalarType_co]] = array([1, 1, 1]))

This class contains and creates the data of the reciprocal space integral.

Parameters

kset: np.ndarray

The number of k points in each direction

Examples

Creating a Kspace instance from the minimal amount of information, which results in the Gamma point.

>>> kspace = Kspace()
>>> kspace.kpoints
array([[0., 0., 0.]])

Or create it with some specific data.

>>> kspace = Kspace(kset=[100,100,1])
>>> print(kspace)
<grogupy.Kspace kset=[100 100   1], NK=10000>

Methods

to_dict(all) :

Returns the instance data as a dictionary.

copy() :

Return a copy of this Contour

Attributes

NKint, optional

Total number of kpoints, by default 1

ksetint, optional

Number of kpoints in each direction, by default np.array([1,1,1])

kpointsNDArray

The samples in the Brillouin zone

weightsNDArray

The weights of the corresponding samples

timesgrogupy.batch.timing.DefaultTimer

It contains and measures runtime

__init__(kset: list[int] | ndarray[Any, dtype[_ScalarType_co]] = array([1, 1, 1])) → None

Initialize kspace sampling.

Methods

__init__([kset])	Initialize kspace sampling.
copy()	Returns the deepcopy of the instance.
plot([marker_size, marker_opacity, ...])	Creates a plot from the Brillouin zone sample points.

Attributes

NK	Total number of kpoints.
kset	Number of kpoints in each direction.