mp-1079130-2/Ba2ZnBi2/harm

Harmonic properties

../../_images/fig_bandos_pr16917.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21226.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16916.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216470.png

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

Summary

../../_images/fig_times27584.png

(a) Computation time