mp-757150-2/Li5BiS4/harm

Harmonic properties

../../_images/fig_bandos_pr3124.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4081.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3124.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22943.png

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

Summary

../../_images/fig_times5399.png

(a) Computation time