mp-760762-2/NbOF3/harm

Equation of state

../../_images/fig_bm1251.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2930.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3659.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2930.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22750.png

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

Summary

../../_images/fig_times4947.png

(a) Computation time