mp-555880/ZnBi2B2O7/harm

Harmonic properties

../../_images/fig_bandos_pr8699.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12223.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8699.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28460.png

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

Summary

../../_images/fig_times15241.png

(a) Computation time