mp-27208/RbMgCl3/harm

Equation of state

../../_images/fig_bm6056.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12287.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16479.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12287.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211986.png

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

Summary

../../_images/fig_times20847.png

(a) Computation time