mp-1112256/K2ScAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16393.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20822.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16392.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215980.png

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

Summary

../../_images/fig_times26894.png

(a) Computation time