mp-2964-2/NaNO2/harm

Equation of state

../../_images/fig_bm6638.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13290.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17654.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13290.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212932.png

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

Summary

../../_images/fig_times22409.png

(a) Computation time