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ALAMODE 1.5.0 documentation
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ALAMODE 1.5.0 documentation
  • 1. About
  • 2. Download
  • 3. Installation
  • 4. Running ALAMODE
  • 5. ALM: Force constant calculator
    • 5.1. ALM: Input files
    • 5.2. ALM: Output files
    • 5.3. ALM: Theoretical background
  • 6. ANPHON: Anharmonic phonon calculator
    • 6.1. ANPHON: Input files
    • 6.2. ANPHON: Output files
    • 6.3. ANPHON: Theoretical background
  • 7. Tutorial
    • 7.1. Silicon
    • 7.2. Silicon with LAMMPS
    • 7.3. PbTe (non-analytic correction)
    • 7.4. SrTiO3 : A self-consistent phonon example
    • 7.5. BaTiO3 : Anharmonic interatomic force constants (IFCs)
    • 7.6. Si : Anharmonic interatomic force constants (IFCs)
    • 7.7. BaTiO3 : An SCPH-based structural optimization example
    • 7.8. ZnO : A QHA-based structural optimization example
  • 8. Frequently Asked Questions (FAQ)
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5. ALM: Force constant calculatorΒΆ

  • 5.1. ALM: Input files
    • Format of input files
    • List of supported input variables
    • Description of input variables
    • How to make a DFSET file
  • 5.2. ALM: Output files
  • 5.3. ALM: Theoretical background
    • Interatomic force constants (IFCs)
    • Symmetry relationship between IFCs
    • Constraints between IFCs
    • Estimate IFCs by linear regression
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5.1. ALM: Input files
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4. Running ALAMODE
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Last updated on Jun 24, 2026