mp-10520/LiNdTiO4/harm

Harmonic properties

../../_images/fig_bandos_pr598.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos521.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo598.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2515.png

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

Summary

../../_images/fig_times877.png

(a) Computation time