mp-773064-2/VRhO4/harm

Equation of state

../../_images/fig_bm1134.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2343.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2708.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2343.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22164.png

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

Summary

../../_images/fig_times3842.png

(a) Computation time