wulfric.Cell.reciprocal

wulfric.Cell.reciprocal(cell)

Computes reciprocal cell.

Parameters:

cell(3, 3) array-like

Cell matrix, rows are interpreted as vectors.

Returns:

reciprocal_cell(3, 3) numpy.ndarray

Reciprocal cell matrix, rows are interpreted as vectors. \(cell = (\boldsymbol{v}_1, \boldsymbol{v}_2, \boldsymbol{v}_3)^T\), where

\[\begin{split}\begin{matrix} \boldsymbol{b}_1 = \dfrac{2\pi}{V}\boldsymbol{a}_2\times\boldsymbol{a}_3 \\ \boldsymbol{b}_2 = \dfrac{2\pi}{V}\boldsymbol{a}_3\times\boldsymbol{a}_1 \\ \boldsymbol{b}_3 = \dfrac{2\pi}{V}\boldsymbol{a}_1\times\boldsymbol{a}_2 \\ \end{matrix}\end{split}\]