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1.5
  • 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
  • 7. Tutorial
  • 8. Frequently Asked Questions (FAQ)
ALAMODE
  • 5. ALM: Force constant calculator
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5. ALM: Force constant calculator

  • 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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© Copyright 2014, Terumasa Tadano. Last updated on Mar 13, 2025.

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