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  • 1. About
  • 2. Download
  • 3. Installation
  • 4. Running ALAMODE
  • 5. ALM: Force constant calculator
  • 6. ANPHON: Anharmonic phonon calculator
    • 6.1. ANPHON: Input files
    • 6.2. ANPHON: Output files
    • 6.3. ANPHON: Theoretical background
  • 7. Tutorial
  • 8. Frequently Asked Questions (FAQ)
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  • 6. ANPHON: Anharmonic phonon calculator
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6. ANPHON: Anharmonic phonon calculator¶

  • 6.1. ANPHON: Input files
    • Format of input files
    • List of supported input variables
    • Description of input variables
    • Format of BORNINFO
  • 6.2. ANPHON: Output files
  • 6.3. ANPHON: Theoretical background
    • Dynamical matrix
    • Group velocity
    • Mode effective charge
    • Thermodynamics functions
    • Mean square displacement
    • Phonon DOS
    • (Atomic) participation ratio
    • Scattering phase space
    • Grüneisen parameter
    • Anharmonic self-energy
    • Isotope scattering
    • Lattice thermal conductivity (Peierls term)
    • Cumulative thermal conductivity
    • Coherent component of lattice thermal conductivity
    • Delta function
    • Self-consistent phonon (SCPH) calculation
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