3.1.21 IBRAV=112 simple monoclinic lattice(単純単斜格子)

CELLDM(1) $=a$, CELLDM(2) $=b/a$, CELLDM(3) $=c/a$,
CELLDM(4) $=\cos{\beta} (0 < \beta < 180^{\circ})$, $\Omega=abc\sin{\beta}$
$({\bf a}_{1},{\bf a}_{2},{\bf a}_{3})= ({\bf x},{\bf y},{\bf z}) \left( \beg... ...0 & c\cos{\beta} \\ 0 & b & 0 \\ 0 & 0 & c\sin{\beta} \end{array} \right)$
$({\bf b}_{1},{\bf b}_{2},{\bf b}_{3})= \frac{2 \pi}{a} ({\bf x},{\bf y},{\bf ... ...rac{\cos{\beta}}{\sin{\beta}} & 0 & \frac{a}{c\sin{\beta}} \end{array} \right)$
Calculation example(計算例)：solid oxyden$\alpha$phase(Anti-ferromagnetic)(固体酸素$\alpha$相(反強磁性))