mp-698633/K3ScH6O6/harm

Harmonic properties

../../_images/fig_bandos_pr4743.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6600.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4743.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24554.png

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

Summary

../../_images/fig_times8415.png

(a) Computation time