mp-25802-2/Li2BiP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr12221.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16365.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12221.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211920.png

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

Summary

../../_images/fig_times20723.png

(a) Computation time