mp-756316-2/Li3SbS4/harm

Equation of state

../../_images/fig_bm1531.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3281.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4342.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3281.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23100.png

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

Summary

../../_images/fig_times5682.png

(a) Computation time