mp-29314/RbVBr3/harm

Harmonic properties

../../_images/fig_bandos_pr11488.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15495.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11488.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211203.png

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

Summary

../../_images/fig_times19585.png

(a) Computation time