mp-15559/KSb5S8/harm

Harmonic properties

../../_images/fig_bandos_pr14290.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18692.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14290.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213918.png

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

Summary

../../_images/fig_times23867.png

(a) Computation time