3.1.1 IBRAV=1 simple cubic lattice(単純立方格子)

CELLDM(1) $=a$, $\Omega=a^{3}$
$({\bf a}_{1},{\bf a}_{2},{\bf a}_{3})= ({\bf x},{\bf y},{\bf z}) \left( \begin{array}{ccc} a & 0 & 0 \\ 0 & a & 0 \\ 0 & 0 & a \end{array} \right)$
$({\bf b}_{1},{\bf b}_{2},{\bf b}_{3})= \frac{2 \pi}{a} ({\bf x},{\bf y},{\bf ... ...egin{array}{ccc} 1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1 \end{array} \right)$
Calculation example(計算例)：CaSiO$_{3}$(Perovskite)