phq: A Fortran code to compute phonon quasiparticle properties and dispersions

Keyphrases

• Accurate Estimation 20%
• Anharmonic Effect 20%
• Anharmonic Phonons 80%
• Anharmonicity 20%
• Brillouin Zone 20%
• Dependence on Temperature 20%
• Diamond Structure 20%
• Dynamic Harmonic 20%
• Dynamic Speed 20%
• Effective Temperature 20%
• First-principles 20%
• Force Constants 40%
• Fortran 100%
• Fortran 90 20%
• Free Energy 60%
• Free Energy Calculations 20%
• Harmonic Force 40%
• High Temperature 20%
• Low Temperature 20%
• Molecular Dynamics 20%
• Molecular Dynamics Trajectories 40%
• Phonon Dispersion 60%
• Phonon Frequencies 80%
• Phonon Lifetime 40%
• Phonons 100%
• Predictive Thermodynamics 20%
• Principles-based 20%
• Programming Languages 20%
• Quasi-harmonic Approximation 40%
• Quasiparticles 100%
• Renormalized Frequency 20%
• Solid Properties 20%
• Solution Method 20%
• Temperature Effect 40%
• Thermodynamic Limit 20%
• Thermodynamic Properties 40%
• Velocity Autocorrelation Function 40%
• Well-defined 20%

Engineering

• Autocorrelation Function 40%
• Brillouin Zone 20%
• Diamond 20%
• Effective Temperature 20%
• Energy Engineering 80%
• Harmonics 100%
• Illustrates 20%
• Input Parameter 20%
• Low-Temperature 20%
• Normal Modes 20%
• Phonon Dispersion 60%
• Solution Method 20%
• Thermodynamic Limit 20%

Material Science

• Diamond 100%