1 #!/usr/bin/env python
   2 
   3 from Dacapo import Dacapo
   4 from ASE.Visualization.VTK import VTKPlotArray, VTKPlotAtoms
   5 
   6 atoms = Dacapo.ReadAtoms("anti.nc")
   7 calc = atoms.GetCalculator()
   8 spin0 = calc.GetDensityArray(spin=0)
   9 spin1 = calc.GetDensityArray(spin=1)
  10 zeta = (spin0-spin1)/ (spin0+spin1)
  11 plot = VTKPlotArray(zeta, atoms.GetUnitCell())
  12 
  13 atomplot = VTKPlotAtoms(atoms, parent=plot)
  14 
  15 p1_Fe=atomplot.GetDictOfSpecies()['Fe']
  16 p1_Fe.SetRadius(0.5)
  17 p1_Fe.SetColor((1,1,1))
  18 
  19 # The unitcell can be removed
  20 unitcell=atomplot.unitcell
  21 atomplot.RemoveAvatar(unitcell)
  22 atomplot.Render()
  23 
  24 plot.Render()