mp-754929-2/Ga3NO3/harm

Equation of state

../../_images/fig_bm1782.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3621.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4847.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3621.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23439.png

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

Summary

../../_images/fig_times6300.png

(a) Computation time