mp-15155-2/Na2Sm2Ti3O10/harm

Harmonic properties

../../_images/fig_bandos_pr14604.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18983.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14604.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214223.png

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

Summary

../../_images/fig_times24302.png

(a) Computation time