mp-759450-2/Sb5O7F/harm

Equation of state

../../_images/fig_bm1349.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3059.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3949.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3059.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22879.png

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

Summary

../../_images/fig_times5254.png

(a) Computation time