mp-6524/CaMg3C4O12/harm

Harmonic properties

../../_images/fig_bandos_pr6456.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo6456.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc26246.png

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

Summary

../../_images/fig_times11617.png

(a) Computation time