mp-1112267/K2AsAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16397.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20826.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16396.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215984.png

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

Summary

../../_images/fig_times26898.png

(a) Computation time