mp-10417-2/KSbO2/harm

Harmonic properties

../../_images/fig_bandos_pr563.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos486.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo563.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2483.png

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

Summary

../../_images/fig_times829.png

(a) Computation time