mp-779162-2/Mg4N6O19/harm

Equation of state

../../_images/fig_bm962.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2194.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2292.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2194.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22015.png

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

Summary

../../_images/fig_times3398.png

(a) Computation time