MAXRD SYMBOL

GetLatticeParameters

GetLatticeParameters[G]
returns the lattice parameters corresponding to the metric G.

GetLatticeParameters[crystal]
returns the lattice parameters of crystal.

Details and OptionsDetails and Options

  • If using crystal input, it should be a string that is a key in the association $CrystalData. If inputting , it should be a matrix.
  • Options:
  • "RoundAnglesThreshold"0.001threshold for rounding angles
    "Space""Direct"return values for direct or reciprocal space
    "Units"Falsewhether to return values as Quantity
  • Available settings for the "Space" option are "Direct", "Reciprocal" and "Both". In the latter case, output is a pair of lattice parameters both for direct space and reciprocal space; {{a,b,c,α,β,γ},{a*,b*,c*,α*,β*,γ*}}.