mp-15254/Li3AlF6/harm

Harmonic properties

../../_images/fig_bandos_pr14615.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18996.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14615.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214234.png

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

Summary

../../_images/fig_times24319.png

(a) Computation time