mp-560376/RbV2I3O13/harm

Harmonic properties

../../_images/fig_bandos_pr7478.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10529.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7478.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27242.png

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

Summary

../../_images/fig_times13249.png

(a) Computation time