vibeqc.inverse_bloch_transform

vibeqc.inverse_bloch_transform(matrices_k, kpoints_frac, translations, weights=None, *, extension_matrix=None)

Transform k-block matrices to primitive-translation blocks.

The convention is M(R)=sum_k w_k exp(-2*pi*i*k.R) M(k). Nonnegative normalized weights, including zero weights, are supported. With extension_matrix=S, require the complete dual of Z^3 / S Z^3 and uniform weights. This optional algebraic contract admits general integral nonsingular extensions; it does not extend SCF support.

Parameters:

• matrices_k (Sequence[ndarray])

• kpoints_frac (ndarray)

• translations (Sequence[Sequence[int]])

• weights (Sequence[float] | ndarray | None)

• extension_matrix (Sequence[Sequence[int]] | None)

Return type:

ndarray