mp-5586-2/NaErO2/harm

Equation of state

../../_images/fig_bm5005.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10010.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13945.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10010.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29763.png

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

Summary

../../_images/fig_times17379.png

(a) Computation time