mp-14722/NaSrAlF6/harm

Harmonic properties

../../_images/fig_bandos_pr14520.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18876.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14520.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214139.png

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

Summary

../../_images/fig_times24173.png

(a) Computation time