mp-645513/HfTl8Mo6O24/harm

Harmonic properties

../../_images/fig_bandos_pr5587.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7992.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5587.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25388.png

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

Summary

../../_images/fig_times10069.png

(a) Computation time