mp-759450/Sb5O7F/harm

Harmonic properties

../../_images/fig_bandos_pr3058.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3948.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3058.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22878.png

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

Summary

../../_images/fig_times5253.png

(a) Computation time