mp-38805/Sm5AgSe8/harm

Harmonic properties

../../_images/fig_bandos_pr10266.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14196.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10266.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210016.png

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

Summary

../../_images/fig_times17740.png

(a) Computation time