mp-778111/Li3Bi3P8O29/harm

Harmonic properties

../../_images/fig_bandos_pr2158.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2220.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2158.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21979.png

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

Summary

../../_images/fig_times3318.png

(a) Computation time