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  • From chemical codes to CML
    • ADF
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    • VASP
      • generator
      • incar
      • potcar
      • lattice
      • position
      • calculated.position
      • vibrations
      • energy
      • energy2
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      • magnetization
      • eigenvalues
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      • vasp.incar
      • vasp.kpoints
      • vasp.doscar
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VASPΒΆ

  • generator
  • incar
    • dimension
    • startparameters
    • electronic.relaxation
    • ionic.relaxation
    • exchange.correlation
    • atom.info
    • dipole
    • vcw
    • dos
  • potcar
    • atom.potcar
  • lattice
  • position
  • calculated.position
  • vibrations
  • energy
  • energy2
  • energy3
  • magnetization
  • eigenvalues
    • spin
    • nospin
  • grimmes
  • vasp.incar
  • vasp.kpoints
  • vasp.doscar
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