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