mp-22694/LiPPbO4/harm

Harmonic properties

../../_images/fig_bandos_pr13096.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17478.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13096.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212774.png

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

Summary

../../_images/fig_times22118.png

(a) Computation time