mp-758157/Na4H2RuN6O13/harm

Equation of state

../../_images/fig_bm1492.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3228.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4262.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3228.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23047.png

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

Summary

../../_images/fig_times5590.png

(a) Computation time