mp-560964-2/K3SmAs2S8/harm

Equation of state

../../_images/fig_bm3963.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7609.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10693.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7609.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27372.png

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

Summary

../../_images/fig_times13459.png

(a) Computation time