mp-761051-2/Na2VPO6/harm

Equation of state

../../_images/fig_bm1261.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2939.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3686.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2939.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22759.png

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

Summary

../../_images/fig_times4975.png

(a) Computation time