mp-760477-2/SmBO3/harm

Equation of state

../../_images/fig_bm1237.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2905.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3630.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2905.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22725.png

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

Summary

../../_images/fig_times4911.png

(a) Computation time