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Option: expand

Syntax

-expand <ex> <ey> <ez>

or

-e <ex> <ey> <ez>

Description

This option allows to "expand" a system in the three directions of space. It can be usefull for (but not restricted to) building a supercell from a unit cell.

The translational vectors used to repeat the system are the base vectors of the original cell, noted Hx, Hy and Hz. The command-line parameters must be integers and, if they need any explanation at all:

Defaults are <ex> = <ey> = <ez> = 1. If you enter 0 in one or more dimensions, they will be automatically replaced by 1, as a zero dimension would wipe out the whole system.

Examples

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