mp-541908-2/KSbF6/harm

Equation of state

../../_images/fig_bm4787.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9580.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13390.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9580.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29341.png

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

Summary

../../_images/fig_times16661.png

(a) Computation time