mp-504882/CaSb10S6O10/harm

Harmonic properties

../../_images/fig_bandos_pr9824.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13724.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9824.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29579.png

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

Summary

../../_images/fig_times17081.png

(a) Computation time