mp-555587/K2SmP2S7/harm

Harmonic properties

../../_images/fig_bandos_pr8642.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12142.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8642.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28403.png

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

Summary

../../_images/fig_times15151.png

(a) Computation time