mp-558302/Bi5BrO7/harm

Harmonic properties

../../_images/fig_bandos_pr7992.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11238.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7992.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27754.png

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

Summary

../../_images/fig_times14093.png

(a) Computation time