mp-697563-2/Ca4MgB4H6C2O18/harm

Harmonic properties

../../_images/fig_bandos_pr4691.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6506.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4691.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24502.png

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

Summary

../../_images/fig_times8309.png

(a) Computation time