mp-669555/KCN3O6/harm

Harmonic properties

../../_images/fig_bandos_pr5380.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7751.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5380.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25185.png

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

Summary

../../_images/fig_times9740.png

(a) Computation time