mp-541953/Rb4Zr3Te16/harm

Harmonic properties

../../_images/fig_bandos_pr9591.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13406.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9591.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29352.png

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

Summary

../../_images/fig_times16682.png

(a) Computation time