mp-556778-2/BaTeF6/harm

Equation of state

../../_images/fig_bm4231.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8292.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11665.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8292.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28054.png

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

Summary

../../_images/fig_times14577.png

(a) Computation time