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CSD >> What can be calculated?

What can be calculated?

  • Single crystal and powder diffraction data
  • X-ray and neutron data
  • Structure solution, refining and representation
  • Displacement tensor up to 4th rank
  • 3D, 4D, 5D and 6D symmetry
  • Single- and multi-phase diffraction
  • Modulated and composite structures
  • Multipole model
  • Quantum-chemical calculations from multipole model
  • Own plotting (in permanent improvement)