mp-6037/Ba2SmSbO6/harm

Harmonic properties

../../_images/fig_bandos_pr6597.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9488.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6597.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26387.png

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

Summary

../../_images/fig_times11847.png

(a) Computation time