mp-777356-2/Li2Bi2S3O12/harm

Equation of state

../../_images/fig_bm910.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2131.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2165.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2131.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21952.png

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

Summary

../../_images/fig_times3262.png

(a) Computation time