mp-695307/K6Sb2H18S8O9/harm

Harmonic properties

../../_images/fig_bandos_pr4837.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6711.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4837.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24646.png

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

Summary

../../_images/fig_times8561.png

(a) Computation time