mp-760655-2/Li3BiP2O8/harm

Equation of state

../../_images/fig_bm1246.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2922.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3648.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2922.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22742.png

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

Summary

../../_images/fig_times4935.png

(a) Computation time