mp-759396/LiBi3P6O20/harm

Harmonic properties

../../_images/fig_bandos_pr3055.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3939.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3055.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22875.png

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

Summary

../../_images/fig_times5244.png

(a) Computation time