Building up a square lattice

• Consider:

1. a square simulation box whose sides are of length $L$
2. a number of lattice positions, $M$ given by $M=m^2$ ; with $m$ being a positive integer

• The $M$ positions are those given by:

$\{\begin{array}{cc}x=i\times (\delta l)& ;i=0,1,\cdots ,m-1\\ y=j\times (\delta l)& ;j=0,1,\cdots ,m-1\\ \end{array}$

where $\delta l=L/m$

Atomic position(s) on a square cell

• Number of atoms per cell: 1
• Coordinates:

Atom 1: $(x_1,y_1)=(0,0)$