mp-12156-2/K3Sb5O14/harm

Harmonic properties

../../_images/fig_bandos_pr15560.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19970.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15559.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215155.png

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

Summary

../../_images/fig_times25717.png

(a) Computation time