qimpy.lattice.Kpoints
- class Kpoints(*, process_grid, k=None, wk=None, 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=None, wk=None, checkpoint_in=(None, ''))
Initialize from list of k-points and weights. Typically, this should be used only by derived classes
Kmesh
orKpath
.- Parameters:
process_grid (ProcessGrid)
k (Tensor | None)
wk (Tensor | None)
checkpoint_in (CheckpointPath)
- Return type:
None
Methods
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
Communicator for k-point division
Array of k-points (N x 3)
Integration weights for each k (adds to 1)
Division of k-points across comm
child_names
Names of attributes with child objects.
variant_name
Version of children having variants (if any)
- 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)