mp-760729/Ca2Ga2SiH2O8/harm

Harmonic properties

../../_images/fig_bandos_pr2928.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo2928.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc22748.png

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

Summary

../../_images/fig_times4945.png

(a) Computation time