mp-546810/RbC2O2/harm

Harmonic properties

../../_images/fig_bandos_pr9425.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13197.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9425.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29187.png

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

Summary

../../_images/fig_times16402.png

(a) Computation time