mp-15558/Li3GaF6/harm

Harmonic properties

../../_images/fig_bandos_pr14288.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18690.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14288.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213916.png

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

Summary

../../_images/fig_times23865.png

(a) Computation time