MAXRD SYMBOL

DistortStructure

DistortStructure[crystal,{F1,F2,F3},{x1,x2,x3}]
distorts the atoms in crystal by an amount given by vector field F and its variables x.

Details and OptionsDetails and Options

  • Distortions/shifts are made in the three directions i∈{1,2,3), either Cartesian or crystallographic, according to the function Fi.
  • This function mutates crystal. Use the "NewLabel" option to create a new structure/crystal instance.
  • Options:
  • "DistortionType""Crystallographic""Cartesian" or "Crystallographic" directions
    "NewLabel"""set a custom crystal label