mp-760184/Na4Ti5O12/harm

Harmonic properties

../../_images/fig_bandos_pr2871.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3578.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2871.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22692.png

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

Summary

../../_images/fig_times4852.png

(a) Computation time