mp-7447/Rb2Se3/harm

Harmonic properties

../../_images/fig_bandos_pr4547.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo4547.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc24359.png

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

Summary

../../_images/fig_times8097.png

(a) Computation time