mp-1111013/KNa2GaF6/harm

Harmonic properties

../../_images/fig_bandos_pr16322.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20756.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16321.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215912.png

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

Summary

../../_images/fig_times26822.png

(a) Computation time