mp-675430/Sm4Ag2Se7/harm

Harmonic properties

../../_images/fig_bandos_pr5229.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7464.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5229.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25034.png

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

Summary

../../_images/fig_times9406.png

(a) Computation time