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