mp-554445-2/Bi5IO7/harm

Harmonic properties

../../_images/fig_bandos_pr8998.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12692.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8998.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28760.png

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

Summary

../../_images/fig_times15766.png

(a) Computation time