mp-707985/K3Na3TeP6H6O24/harm

Harmonic properties

../../_images/fig_bandos_pr4281.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5975.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4281.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24094.png

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

Summary

../../_images/fig_times7612.png

(a) Computation time