mp-504957/RbReCl4/harm

Harmonic properties

../../_images/fig_bandos_pr9840.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13743.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9840.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29595.png

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

Summary

../../_images/fig_times17103.png

(a) Computation time