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Next: 3.1.20 IBRAV=12 単純単斜格子 Up: 3.1 格子(セル)定数の入力 Previous: 3.1.18 IBRAV=11 底心斜方格子(C)


3.1.19 IBRAV=111 底心斜方格子(B)

CELLDM(1) $=a$, CELLDM(2) $=b/a$, CELLDM(3) $=c/a$, $\Omega=abc/2$
$({\bf a}_{1},{\bf a}_{2},{\bf a}_{3})= ({\bf x},{\bf y},{\bf z})
\left(
\beg...
...y}{ccc}
a/2 & 0 & -a/2 \\
0 & b & 0 \\
c/2 & 0 & c/2
\end{array} \right)$
$({\bf b}_{1},{\bf b}_{2},{\bf b}_{3})= \frac{2 \pi}{a}
({\bf x},{\bf y},{\bf ...
...\
0 & \frac{a}{b} & 0 \\
\frac{a}{c} & 0 & \frac{a}{c}
\end{array} \right)$
next up previous contents index
Next: 3.1.20 IBRAV=12 単純単斜格子 Up: 3.1 格子(セル)定数の入力 Previous: 3.1.18 IBRAV=11 底心斜方格子(C)
Copyright (C), Tatsuki Oda (oda@cphys.s.kanazawa-u.ac.jp, Kanazawa University)