mp-1091371/Bi2O3/harm

Harmonic properties

../../_images/fig_bandos_pr17012.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21323.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17011.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216564.png

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

Summary

../../_images/fig_times27719.png

(a) Computation time