mp-13947/Rb2HfF6/harm

Harmonic properties

../../_images/fig_bandos_pr14999.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19356.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14998.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214616.png

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

Summary

../../_images/fig_times24838.png

(a) Computation time