mp-1111088/Na2AlAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16334.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20767.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16333.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215924.png

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

Summary

../../_images/fig_times26834.png

(a) Computation time