mp-11709-2/SmB3O6/harm

Harmonic properties

../../_images/fig_bandos_pr16455.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo16454.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc216035.png

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

Summary

../../_images/fig_times26956.png

(a) Computation time