mp-3488-2/Na2Ti3O7/harm

Harmonic properties

../../_images/fig_bandos_pr10929.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14841.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10929.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210654.png

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

Summary

../../_images/fig_times18691.png

(a) Computation time