mp-756951-2/LiSbO3/harm

Equation of state

../../_images/fig_bm1616.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3383.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4510.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3383.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23202.png

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

Summary

../../_images/fig_times5879.png

(a) Computation time