mp-556413/Na4Cd2Si3O10/harm

Harmonic properties

../../_images/fig_bandos_pr8524.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11978.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8524.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28286.png

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

Summary

../../_images/fig_times14958.png

(a) Computation time