mp-777423/Na6Ti2O7/harm

Harmonic properties

../../_images/fig_bandos_pr2134.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2168.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2134.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21955.png

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

Summary

../../_images/fig_times3265.png

(a) Computation time