mp-720802/Na6HfH8S5O24/harm

Harmonic properties

../../_images/fig_bandos_pr4311.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6057.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4311.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24124.png

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

Summary

../../_images/fig_times7695.png

(a) Computation time