mp-779031-2/NaVP2O8/harm

Equation of state

../../_images/fig_bm956.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2188.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2276.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2188.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22009.png

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

Summary

../../_images/fig_times3382.png

(a) Computation time