mp-23262/Bi2O3/harm

Equation of state

../../_images/fig_bm6476.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12967.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17352.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12967.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212655.png

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

Summary

../../_images/fig_times21934.png

(a) Computation time