mp-543034/Ba3Zn6Si4TeO20/harm

Harmonic properties

../../_images/fig_bandos_pr9366.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13138.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9366.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29128.png

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

Summary

../../_images/fig_times16326.png

(a) Computation time