mp-695514-2/NaSr2NdTi4O12/harm

Harmonic properties

../../_images/fig_bandos_pr4845.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6732.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4845.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24654.png

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

Summary

../../_images/fig_times8583.png

(a) Computation time