mp-1112282/K2AgIrF6/harm

Harmonic properties

../../_images/fig_bandos_pr16400.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20829.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16399.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215987.png

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

Summary

../../_images/fig_times26901.png

(a) Computation time