mp-707227/K5H3S5O14/harm

Harmonic properties

../../_images/fig_bandos_pr4242.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5876.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4242.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24055.png

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

Summary

../../_images/fig_times7508.png

(a) Computation time