mp-801028/Ba4Sb2O9/harm

Harmonic properties

../../_images/fig_bandos_pr1683.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1611.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1683.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21516.png

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

Summary

../../_images/fig_times2513.png

(a) Computation time