mp-1227367/BeZn3O4/harm

Harmonic properties

../../_images/fig_bandos_pr15119.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19489.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15118.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214734.png

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

Summary

../../_images/fig_times25021.png

(a) Computation time