mp-553969/Na2Te3Mo3O16/harm

Harmonic properties

../../_images/fig_bandos_pr9225.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12940.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9225.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28987.png

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

Summary

../../_images/fig_times16088.png

(a) Computation time