mp-753755/Bi3O4F/harm

Harmonic properties

../../_images/fig_bandos_pr3737.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4979.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3737.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23552.png

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

Summary

../../_images/fig_times6484.png

(a) Computation time