mp-675562-2/K2ThF6/harm

Harmonic properties

../../_images/fig_bandos_pr5242.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7486.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5242.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25047.png

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

Summary

../../_images/fig_times9429.png

(a) Computation time