mp-1111337/Na2AlAgF6/harm

Harmonic properties

../../_images/fig_bandos_pr16357.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20790.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16356.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215947.png

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

Summary

../../_images/fig_times26857.png

(a) Computation time