next up previous contents index
Next: 3.1.26 IBRAV=114 simple triclinic Up: 3.1 Input of lattice Previous: 3.1.24 IBRAV=213 base-centered monoclinic(C)(底心単斜格子(C))


3.1.25 IBRAV=14 simple triclinic lattice(単純三斜格子)

CELLDM(1) $=a$, CELLDM(2) $=b/a$, CELLDM(3) $=c/a$,
CELLDM(4) $=\cos{\alpha}$, CELLDM(5) $=\cos{\beta}$, CELLDM(6) $=\cos{\gamma} (0 < \alpha,\beta,\gamma < 180^{\circ})$,
$p=\sqrt{1+2\cos{\alpha}\cos{\beta}\cos{\gamma}-\cos^{2}{\alpha}
-\cos^{2}{\beta}-\cos^{2}{\gamma}}$ , $\Omega=abcp$
$({\bf a}_{1},{\bf a}_{2},{\bf a}_{3})= ({\bf x},{\bf y},{\bf z})
\left(
\beg...
...ma}}{\sin{\gamma}} \\
0 & 0 & c \frac{p}{\sin{\gamma}}
\end{array} \right)$
$({\bf b}_{1},{\bf b}_{2},{\bf b}_{3})= \frac{2 \pi}{a}
({\bf x},{\bf y},{\bf ...
...}
{p \sin{\gamma}} &
\frac{a}{c}\frac{\sin{\gamma}}{p}
\end{array} \right)$
next up previous contents index
Next: 3.1.26 IBRAV=114 simple triclinic Up: 3.1 Input of lattice Previous: 3.1.24 IBRAV=213 base-centered monoclinic(C)(底心単斜格子(C))
Copyright (C), Tatsuki Oda (oda@cphys.s.kanazawa-u.ac.jp, Kanazawa University)