mp-24345-2/ZnH12S2O12/harm

Equation of state

../../_images/fig_bm6135.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12394.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16647.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12394.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212093.png

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

Summary

../../_images/fig_times21045.png

(a) Computation time