mp-541361/K2RuNCl5O/harm

Harmonic properties

../../_images/fig_bandos_pr9500.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13302.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9500.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29261.png

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

Summary

../../_images/fig_times16530.png

(a) Computation time