mp-695514/NaSr2NdTi4O12/harm

Equation of state

../../_images/fig_bm2396.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4844.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6731.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4844.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24653.png

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

Summary

../../_images/fig_times8582.png

(a) Computation time