mp-1111325/Na2AgIrF6/harm

Harmonic properties

../../_images/fig_bandos_pr16354.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20787.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16353.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215944.png

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

Summary

../../_images/fig_times26854.png

(a) Computation time