mp-1110621/Na2AlTlF6/harm

Harmonic properties

../../_images/fig_bandos_pr16294.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20731.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16293.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215887.png

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

Summary

../../_images/fig_times26794.png

(a) Computation time