mp-27936/Na2SbF5/harm

Equation of state

../../_images/fig_bm5846.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11966.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16020.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11966.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211669.png

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

Summary

../../_images/fig_times20296.png

(a) Computation time