mp-4264-2/K2S2O5/harm

Equation of state

../../_images/fig_bm5198.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10366.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14314.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10366.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210111.png

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

Summary

../../_images/fig_times17894.png

(a) Computation time