ASE
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    • The Atoms object
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    • Using the spacegroup subpackage
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    • Bravais lattices
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    • Nanoparticles and clusters
    • Visualization
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    • Density Functional Theory
    • Vibration analysis
      • Vibrational modes
      • Infrared intensities
      • Resonant and non-resonant Raman spectra
      • Evaluation of Franck-Condon factors
    • Phonon calculations
    • Phase diagrams and Pourbaix diagrams
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Vibration analysis

Vibrational analysis is based on the finite difference approximation. Different information can be obtained from this:

  • Vibrational modes
    • Vibrations
    • Example
    • Old calculations
    • Vibrational Data
  • Infrared intensities
    • Infrared
  • Resonant and non-resonant Raman spectra
    • 1. Finite difference calculations
  • Evaluation of Franck-Condon factors
    • Franck-Condon factors in CH4
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