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3.1.6 IBRAV=4 simple hexagonal lattice(単純立方格子)

CELLDM(1) $=a$, CELLDM(3) $=c/a$, $\Omega=\sqrt{3} a^{2}c/2$ ( ${\bf a}_{1}\cdot{\bf a}_{2}=-a^{2}/2$)
$({\bf a}_{1},{\bf a}_{2},{\bf a}_{3})= ({\bf x},{\bf y},{\bf z})
\left(
\beg...
...a}{2} & 0 \\
0 & \frac{\sqrt{3}a}{2} & 0 \\
0 & 0 & c
\end{array} \right)$
$({\bf b}_{1},{\bf b}_{2},{\bf b}_{3})= \frac{2 \pi}{a}
({\bf x},{\bf y},{\bf ...
...}}{3} & \frac{2 \sqrt{3}}{3} & 0 \\
0 & 0 & \frac{a}{c}
\end{array} \right)$
Calculation example(計算例):GaN(Würtzite)、graphite(hcp)
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Next: 3.1.7 IBRAV=5 simple trigonal Up: 3.1 Input of lattice Previous: 3.1.5 IBRAV=103 body-centered cubic
Copyright (C), Tatsuki Oda (oda@cphys.s.kanazawa-u.ac.jp, Kanazawa University)