mp-1112269/K2AlAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16398.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20827.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16397.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215985.png

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

Summary

../../_images/fig_times26899.png

(a) Computation time