Building up a body 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=2m3, 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 (ia,ja,ka) must fulfill:

  • ia,ja,ka must be either all odd or all even.
  • 0≤ia≤2m
  • 0≤ja≤2m
  • 0≤ka≤2m

and δl=L/(2m)