mp-504354/LiBiP4O12/harm

Harmonic properties

../../_images/fig_bandos_pr9793.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13664.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9793.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29549.png

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

Summary

../../_images/fig_times17014.png

(a) Computation time