mp-756435-2/Sr3Nb4O13/harm

Harmonic properties

../../_images/fig_bandos_pr3303.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4371.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3303.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23122.png

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

Summary

../../_images/fig_times5716.png

(a) Computation time