mp-756854-2/Sr2LiNb3O10/harm

Equation of state

../../_images/fig_bm1606.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3366.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4489.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3366.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23185.png

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

Summary

../../_images/fig_times5851.png

(a) Computation time