mp-774336-2/Li3BiS3/harm

Equation of state

../../_images/fig_bm1174.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2398.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2799.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2398.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22219.png

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

Summary

../../_images/fig_times3936.png

(a) Computation time