mp-555363/Na2CdSi2O6/harm

Equation of state

../../_images/fig_bm4497.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8910.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12563.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8910.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28671.png

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

Summary

../../_images/fig_times15620.png

(a) Computation time