mp-1111949/K2AlAgF6/harm

Harmonic properties

../../_images/fig_bandos_pr16382.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20815.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16381.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215972.png

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

Summary

../../_images/fig_times26883.png

(a) Computation time