mp-758157-2/Na4H2RuN6O13/harm

Harmonic properties

../../_images/fig_bandos_pr3229.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4263.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3229.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23048.png

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

Summary

../../_images/fig_times5591.png

(a) Computation time