mp-3821/K2PtF6/harm

Harmonic properties

../../_images/fig_bandos_pr10649.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14568.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10649.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210382.png

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

Summary

../../_images/fig_times18284.png

(a) Computation time