replicate

Syntax

This keyword is used as follows:

replicate <n_a> <n_b> <n_c>

Here, n_a, n_b and n_c are the numbers of replicas in the \(a\), \(b\) and \(c\) directions. They must be positive integers.

Example

To build a 1*2*4 supercell, just write:

replicate 1 2 4

Caveats

• Use this command before defining potential.

• The group information and velocities of atoms are also replicated.

• Don’t replicate along non-periodic dimensions.