mp-759728/Sb7O6F9/harm

Harmonic properties

../../_images/fig_bandos_pr3082.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3993.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3082.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22902.png

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

Summary

../../_images/fig_times5300.png

(a) Computation time