mp-636934/Bi2O3/harm

Harmonic properties

../../_images/fig_bandos_pr5676.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8168.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5676.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25475.png

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

Summary

../../_images/fig_times10265.png

(a) Computation time