mp-16319/Rb3Sb/harm

Equation of state

../../_images/fig_bm7208.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14421.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18783.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14421.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214044.png

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

Summary

../../_images/fig_times24028.png

(a) Computation time