mp-1112262/K2IrAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16395.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20824.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16394.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215982.png

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

Summary

../../_images/fig_times26896.png

(a) Computation time