mp-1112264/K2GaAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16396.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20825.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16395.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215983.png

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

Summary

../../_images/fig_times26897.png

(a) Computation time