mp-768991/Li4Bi2C4SO16/harm

Harmonic properties

../../_images/fig_bandos_pr2626.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3186.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2626.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22447.png

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

Summary

../../_images/fig_times4377.png

(a) Computation time