mp-18711/LiNdP4O12/harm

Harmonic properties

../../_images/fig_bandos_pr13593.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17954.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13593.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213221.png

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

Summary

../../_images/fig_times22848.png

(a) Computation time