mp-757150/Li5BiS4/harm

Equation of state

../../_images/fig_bm1408.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3123.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4080.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3123.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22942.png

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

Summary

../../_images/fig_times5398.png

(a) Computation time