Building up a diamond lattice

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[EN CONSTRUCCION]

  • Consider:
  1. a cubic simulation box whose sides are of length L
  2. a number of lattice positions, M given by M=8m3,

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<4m
  • 0≤ja<4m
  • 0≤ka<4m,
  • the sum of ia+ja+ka can have only the values: 0, 3, 4, 7, 8, 10, ...

i.e, ia+ja+ka=4n; OR; ia+ja+ka=4n+3, with n is any integer number

  • the indices {ia,ja,ka}must be either all even or all odd.

with δl=L/(4m)