mp-1188316/Bi2O3/harm

Harmonic properties

../../_images/fig_bandos_pr16185.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20651.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16184.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215778.png

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

Summary

../../_images/fig_times26658.png

(a) Computation time