mp-774749/RbNa3Li12Ti4O16/harm

Harmonic properties

../../_images/fig_bandos_pr2424.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2842.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2424.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22245.png

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

Summary

../../_images/fig_times3980.png

(a) Computation time