mp-28205-2/Na3ReO5/harm

Equation of state

../../_images/fig_bm5731.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11749.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15757.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11749.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211460.png

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

Summary

../../_images/fig_times19952.png

(a) Computation time