mp-10620-2/LiPrO2/harm

Harmonic properties

../../_images/fig_bandos_pr620.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos535.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo620.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2537.png

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

Summary

../../_images/fig_times906.png

(a) Computation time