mp-556413-2/Na4Cd2Si3O10/harm

Equation of state

../../_images/fig_bm4316.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8525.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11979.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8525.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28287.png

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

Summary

../../_images/fig_times14959.png

(a) Computation time