mp-557387-2/Sr2TmNbO6/harm

Equation of state

../../_images/fig_bm4275.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8429.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11839.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8429.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28191.png

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

Summary

../../_images/fig_times14791.png

(a) Computation time