mp-541918/Na2Te4MoO12/harm

Harmonic properties

../../_images/fig_bandos_pr9586.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13399.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9586.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29347.png

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

Summary

../../_images/fig_times16672.png

(a) Computation time