mp-772073/Li2Nb4O11/harm

Harmonic properties

../../_images/fig_bandos_pr2526.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3031.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2526.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22347.png

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

Summary

../../_images/fig_times4190.png

(a) Computation time