mp-779162/Mg4N6O19/harm

Harmonic properties

../../_images/fig_bandos_pr2193.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2291.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2193.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22014.png

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

Summary

../../_images/fig_times3397.png

(a) Computation time