mp-27207-2/K2MgCl4/harm

Harmonic properties

../../_images/fig_bandos_pr12286.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16478.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12286.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211985.png

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

Summary

../../_images/fig_times20846.png

(a) Computation time