mp-568350/Rb2ZnCl4/harm

Harmonic properties

../../_images/fig_bandos_pr7272.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10258.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7272.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27038.png

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

Summary

../../_images/fig_times12913.png

(a) Computation time