mp-861268/LiLaNb2O7/harm

Harmonic properties

../../_images/fig_bandos_pr1755.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1767.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1755.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21587.png

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

Summary

../../_images/fig_times2678.png

(a) Computation time