Keyphrases
Anharmonic Effect
20%
First-principles Study
20%
Forsterite
100%
Free Energy
20%
Infrared Modes
20%
Infrared Spectroscopy
20%
Local Density Approximation
20%
Mode Grüneisen Parameter
20%
Pressure Dependence
40%
Pressure-volume-temperature
20%
Quasi-harmonic Approximation
40%
Raman Spectroscopy
20%
Thermodynamic Properties
100%
Vibrational Properties
100%
Chemistry
First Principle
100%
Free Energy
100%
Local-Density Approximation
100%
Raman Spectroscopy
100%
Engineering
Good Agreement
50%
Harmonics
100%
Infrared Spectroscopy
50%
Local Density Approximation
50%
Temperature Relation
50%
Material Science
Density
100%
Raman Spectroscopy
100%