mp-560964/K3SmAs2S8/harm

Harmonic properties

../../_images/fig_bandos_pr7608.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10692.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7608.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27371.png

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

Summary

../../_images/fig_times13458.png

(a) Computation time