mp-706366/K6H6S6N2O23/harm

Harmonic properties

../../_images/fig_bandos_pr4455.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6251.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4455.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24268.png

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

Summary

../../_images/fig_times7940.png

(a) Computation time