mp-778111-2/Li3Bi3P8O29/harm

Equation of state

../../_images/fig_bm933.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2159.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2221.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2159.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21980.png

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

Summary

../../_images/fig_times3319.png

(a) Computation time