mp-779482/Li6Bi2B4SO16/harm

Harmonic properties

../../_images/fig_bandos_pr2202.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2317.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2202.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22023.png

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

Summary

../../_images/fig_times3426.png

(a) Computation time