mp-762371-2/NbOF3/harm

Equation of state

../../_images/fig_bm1277.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2974.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3752.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2974.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22794.png

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

Summary

../../_images/fig_times5046.png

(a) Computation time