pyscfad.pbc.gto.cell_lite.Cell.pbc_intor

Cell.pbc_intor(intor_name, comp=None, hermi=0, kpts=None, shls_slice=None, **kwargs)

Periodic one-electron integrals.

See also

pbc_intor()

Notes

Unlike pyscf, the argument kpt is not supported, and the returned array always contains one dimension for the k-points.

Parameters:

• intor_name (str)

• comp (int | None)

• hermi (int)

• kpts (Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray | None)

• shls_slice (tuple[int, ...] | None)

Return type:

Array