lpars_rlpars_to_B#
- anri.crystal.lpars_rlpars_to_B(lpars, rlpars)[source]#
Get the Busing-Levy B matrix from the direct and reciprocal lattice parameters.
- Parameters:
lpars (
Array) – [6] Lattice parameters (a,b,c,alpha,beta,gamma) with angles in degreesrlpars (
Array) – [6] Reciprocal lattice parameters (a*,b*,c*,alpha*,beta*,gamma*) with angles in degrees
- Returns:
B (
jax.Array) – [3,3] Reciprocal space orthogonalization matrix
Notes
For a direct space lattice:
\[\left( a, b, c, \alpha, \beta, \gamma \right)\]and a reciprocal space lattice:\[\left( a^*, b^*, c^*, \alpha^*, \beta^*, \gamma^* \right)\]We can say (Busing & Levy 1966, Equation 3) [2]:\[\begin{split}B = \begin{bmatrix} a^* & b^* \cos{\gamma^*} & c^* \cos{\beta^*} \\ 0 & b^* \sin{\gamma^*} & -c^* \sin{\beta^*}\cos{\alpha} \\ 0 & 0 & \frac{1}{c} \end{bmatrix} \end{split}\]References