mp-14484-2/KNaLi2S2O8/harm

Equation of state

../../_images/fig_bm7416.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14818.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19188.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14818.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214436.png

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

Summary

../../_images/fig_times24595.png

(a) Computation time