mp-643759-2/GaH3NF3/harm

Equation of state

../../_images/fig_bm2691.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5533.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7927.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5533.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25335.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times9983.png

(a) Computation time