2. API reference

• 2.1. Make input file for qha
• 2.2. Read standard input data file
• 2.3. Statistical mechanics functions
• 2.4. Single configuration free energy
• 2.5. Multi-configurations free energy
  • 2.5.1. Same phonon density of states
  • 2.5.2. Different phonon density of states
• 2.6. Interpolate on a dense volume mesh
• 2.7. Fitting Birch–Murnaghan equation of state
• 2.8. Convert \(f(T, V)\) to \(f(T,P)\)
• 2.9. Thermodynamic properties
• 2.10. Some miscellaneous functions
• 2.11. Data model for user computational settings
• 2.12. Fast unit conversion functions