mp-23660-2/KNa22C2S9ClO42/harm

Harmonic properties

../../_images/fig_bandos_pr12787.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17174.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12787.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212483.png

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

Summary

../../_images/fig_times21686.png

(a) Computation time