mp-560570/Rb2NaAl6F21/harm

Harmonic properties

../../_images/fig_bandos_pr7519.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10581.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7519.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27283.png

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

Summary

../../_images/fig_times13313.png

(a) Computation time