mp-555541/KCN2O4/harm

Harmonic properties

../../_images/fig_bandos_pr8629.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12126.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8629.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28390.png

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

Summary

../../_images/fig_times15131.png

(a) Computation time