mp-759141/LiBiP4O12/harm

Equation of state

../../_images/fig_bm1326.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3034.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3894.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3034.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22854.png

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

Summary

../../_images/fig_times5196.png

(a) Computation time