mp-759798/Bi7O6F9/harm

Harmonic properties

../../_images/fig_bandos_pr3094.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4009.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3094.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22914.png

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

Summary

../../_images/fig_times5319.png

(a) Computation time