mp-768348/SmCl3O12/harm

Harmonic properties

../../_images/fig_bandos_pr2838.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3521.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2838.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22659.png

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

Summary

../../_images/fig_times4780.png

(a) Computation time