Attachment 'viz_Fe_anti.py'

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   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()

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  • [get | view] (2006-02-03 13:40:31, 0.7 KB) [[attachment:Al-fcc.py]]
  • [get | view] (2006-02-03 13:41:10, 78.7 KB) [[attachment:Al_dos.jpg]]
  • [get | view] (2006-02-03 14:04:32, 27.8 KB) [[attachment:CO_dos.jpg]]
  • [get | view] (2006-02-03 13:28:17, 85.3 KB) [[attachment:CO_eigenstates.jpg]]
  • [get | view] (2006-02-03 13:24:30, 4.1 KB) [[attachment:CO_moscheme.gif]]
  • [get | view] (2006-02-03 13:27:59, 1.3 KB) [[attachment:CO_wavefunction.py]]
  • [get | view] (2006-02-03 13:33:40, 0.5 KB) [[attachment:Fe-anti.py]]
  • [get | view] (2006-02-03 13:33:18, 0.5 KB) [[attachment:Fe-ferro_compl.py]]
  • [get | view] (2006-02-03 13:33:58, 0.5 KB) [[attachment:Fe-non.py]]
  • [get | view] (2006-02-03 13:39:48, 28.7 KB) [[attachment:Fe_anti_viz.jpg]]
  • [get | view] (2006-02-03 13:28:48, 1.9 KB) [[attachment:Fe_atom_magn.gif]]
  • [get | view] (2006-02-03 13:34:47, 91.0 KB) [[attachment:Fe_dos_anti.jpg]]
  • [get | view] (2006-02-03 13:34:30, 100.7 KB) [[attachment:Fe_dos_ferro.jpg]]
  • [get | view] (2006-02-03 13:35:29, 85.6 KB) [[attachment:Fe_dos_non.jpg]]
  • [get | view] (2006-02-03 13:43:25, 0.9 KB) [[attachment:Si-diamond.py]]
  • [get | view] (2006-02-03 14:04:11, 67.5 KB) [[attachment:Si_dos.jpg]]
  • [get | view] (2006-02-03 13:38:47, 1.1 KB) [[attachment:dos.py]]
  • [get | view] (2006-02-03 13:39:11, 0.6 KB) [[attachment:viz_Fe_anti.py]]
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