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CRYSTAL

NAME
CRYSTAL - Read the cell parameters defining the shape of the simulation box
SYNOPSIS
CRYSTAL $a$   [$b$   $c$  [ $\alpha $   $\beta$   $\gamma$]]
DESCRIPTION
The arguments $\alpha $, $\beta$ and $\gamma$ to this command are defined using the usual crystallographic conventions: $\alpha $ is the angle between the $b$ and $c$ axis, $\beta$ is the angle between $a$ and $c$, and $\gamma$ is the angle between $a$ and $b$.
EXAMPLES
CRYSTAL 12.3 14.5 12.3 90.0 95.0 90.0
CRYSTAL 15.0
DEFAULTS
$\alpha=\beta=\gamma=90.0$


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