mp-1195213/Bi2S3O12/harm

Harmonic properties

../../_images/fig_bandos_pr15524.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19911.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15523.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215119.png

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

Summary

../../_images/fig_times25653.png

(a) Computation time