mp-1201514/K2RuO5/harm

Harmonic properties

../../_images/fig_bandos_pr15378.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19748.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15377.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214981.png

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

Summary

../../_images/fig_times25429.png

(a) Computation time