mp-31488/Li3NbO4/harm

Harmonic properties

../../_images/fig_bandos_pr10766.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14688.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10766.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210495.png

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

Summary

../../_images/fig_times18460.png

(a) Computation time