Building up a face centered cubic lattice

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  • Consider:
  1. a cubic simulation box whose sides are of length L
  2. a number of lattice positions, M given by M=4m3,

with m being a positive integer

  • The M positions are those given by:
{xa=ia×(δl)ya=ja×(δl)za=ka×(δl)}

where the indices of a given valid site are integer numbers that must fulfill the following criteria

  • 0≤ia<m
  • 0≤ja<m
  • 0≤ka<m,
  • the sum of ia+ja+ka must be, for instance, an even number.

with δl=L/(2m)