mp-703273/KBaLiZnF6/harm

Harmonic properties

../../_images/fig_bandos_pr4417.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6163.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4417.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24230.png

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

Summary

../../_images/fig_times7850.png

(a) Computation time