mp-758062-2/Li2NbCo3O8/harm

Harmonic properties

../../_images/fig_bandos_pr3217.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4252.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3217.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23036.png

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

Summary

../../_images/fig_times5577.png

(a) Computation time