mp-703275/NaSr3NdTi5O15/harm

Harmonic properties

../../_images/fig_bandos_pr4418.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6164.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4418.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24231.png

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

Summary

../../_images/fig_times7851.png

(a) Computation time