mp-777356/Li2Bi2S3O12/harm

Harmonic properties

../../_images/fig_bandos_pr2130.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2164.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2130.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21951.png

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

Summary

../../_images/fig_times3261.png

(a) Computation time