mp-27208-2/RbMgCl3/harm

Harmonic properties

../../_images/fig_bandos_pr12288.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16480.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12288.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211987.png

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

Summary

../../_images/fig_times20848.png

(a) Computation time