mp-541108/Cd2SiP4O14/harm

Equation of state

../../_images/fig_bm4732.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9474.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13254.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9474.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29235.png

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

Summary

../../_images/fig_times16479.png

(a) Computation time