3.1.2 IBRAV=2 face-centered cubic lattice(面心立方格子)

CELLDM(1) $=a$, $\Omega=a^{3}/4$
$({\bf a}_{1},{\bf a}_{2},{\bf a}_{3})= ({\bf x},{\bf y},{\bf z}) \left( \beg... ...}{2} & 0 & \frac{a}{2} \\ \frac{a}{2} & \frac{a}{2} & 0 \end{array} \right)$
$({\bf b}_{1},{\bf b}_{2},{\bf b}_{3})= \frac{2 \pi}{a} ({\bf x},{\bf y},{\bf ... ...n{array}{ccc} -1 & 1 & 1 \\ 1 & -1 & 1 \\ 1 & 1 & -1 \end{array} \right)$
Calculation example(計算例)：Si(diamond),AlN(Zinc Blend)