mp-1047093/BaCaSb4O8/harm

Harmonic properties

../../_images/fig_bandos_pr17076.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21439.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17075.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216628.png

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

Summary

../../_images/fig_times27842.png

(a) Computation time