mp-13199/Zn3TeO6/harm

Harmonic properties

../../_images/fig_bandos_pr14849.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19229.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14849.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214467.png

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

Summary

../../_images/fig_times24648.png

(a) Computation time