qimpy.lattice.Kpoints

class Kpoints(*, process_grid, k, wk, checkpoint_in=(None, ''))

Bases: TreeNode

Set of k-points in Brillouin zone.

Parameters:

• process_grid (ProcessGrid) –

• k (Tensor) –

• wk (Tensor) –

• checkpoint_in (CheckpointPath) –

__init__(*, process_grid, k, wk, checkpoint_in=(None, ''))

Initialize from list of k-points and weights. Typically, this should be used only by derived classes Kmesh or Kpath.

Parameters:

• process_grid (ProcessGrid) –

• k (Tensor) –

• wk (Tensor) –

• checkpoint_in (CheckpointPath) –

Return type:

None

Methods

__init__	Initialize from list of k-points and weights.
add_child	Construct child object self.`attr_name` of type cls.
add_child_one_of	Invoke add_child on one of several child options in args.
save_checkpoint	Save self and all children in hierarchy to cp_path.

Attributes

comm	Communicator for k-point division
k	Array of k-points (N x 3)
wk	Integration weights for each k (adds to 1)
division	Division of k-points across comm
child_names	Names of attributes with child objects.

comm: Comm

Communicator for k-point division

division: TaskDivision

Division of k-points across comm

k: Tensor

Array of k-points (N x 3)

wk: Tensor

Integration weights for each k (adds to 1)