mp-24118/H10SO8/harm

Equation of state

../../_images/fig_bm6093.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12336.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16553.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12336.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212035.png

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

Summary

../../_images/fig_times20935.png

(a) Computation time