mp-16319-2/Rb3Sb/harm

Harmonic properties

../../_images/fig_bandos_pr14422.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18784.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14422.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214045.png

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

Summary

../../_images/fig_times24029.png

(a) Computation time