mp-556364/Ca2SiCl2O3/harm

Harmonic properties

../../_images/fig_bandos_pr8508.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo8508.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc28270.png

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

Summary

../../_images/fig_times14934.png

(a) Computation time