mp-557438/Sm2Ti3Bi2O12/harm

Equation of state

../../_images/fig_bm4278.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8440.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11851.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8440.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28202.png

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

Summary

../../_images/fig_times14805.png

(a) Computation time