mp-558219-2/SrLiB3S6/harm

Equation of state

../../_images/fig_bm4099.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7972.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11208.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7972.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27734.png

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

Summary

../../_images/fig_times14057.png

(a) Computation time