mp-1046956/BaZnBi4O8/harm

Harmonic properties

../../_images/fig_bandos_pr17068.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21428.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17067.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216620.png

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

Summary

../../_images/fig_times27829.png

(a) Computation time