mp-667386/Na3Sr4Al5F26/harm

Harmonic properties

../../_images/fig_bandos_pr5368.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7717.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5368.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25173.png

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

Summary

../../_images/fig_times9702.png

(a) Computation time