mp-867329/K2ZnH4I4O14/harm

Harmonic properties

../../_images/fig_bandos_pr1319.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1239.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1319.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21175.png

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

Summary

../../_images/fig_times1983.png

(a) Computation time