mp-29978/Sr5Al2F16/harm

Harmonic properties

../../_images/fig_bandos_pr11053.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14979.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11053.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210777.png

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

Summary

../../_images/fig_times18877.png

(a) Computation time