mp-626264/BaH16O10/harm

Harmonic properties

../../_images/fig_bandos_pr5767.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8328.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5767.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25563.png

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

Summary

../../_images/fig_times10443.png

(a) Computation time