mp-560043/KSb4F13/harm

Harmonic properties

../../_images/fig_bandos_pr7744.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10864.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7744.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27507.png

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

Summary

../../_images/fig_times13660.png

(a) Computation time