mp-1112315/CsK2IrF6/harm

Harmonic properties

../../_images/fig_bandos_pr16404.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20833.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16403.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215991.png

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

Summary

../../_images/fig_times26905.png

(a) Computation time