mp-1112179/K2ScInF6/harm

Harmonic properties

../../_images/fig_bandos_pr16389.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20818.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16388.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215976.png

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

Summary

../../_images/fig_times26890.png

(a) Computation time