mp-1111080/K3GaF6/harm

Harmonic properties

../../_images/fig_bandos_pr16331.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20764.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16330.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215921.png

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

Summary

../../_images/fig_times26831.png

(a) Computation time