mp-1110845/K3SbF6/harm

Harmonic properties

../../_images/fig_bandos_pr16309.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20746.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16308.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215902.png

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

Summary

../../_images/fig_times26809.png

(a) Computation time