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.