mp-23979-2/K3HSe2O8/harm

Equation of state

../../_images/fig_bm6265.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12587.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16935.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12587.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212285.png

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

Summary

../../_images/fig_times21385.png

(a) Computation time