mp-556198-2/Na2Si3O7/harm

Equation of state

../../_images/fig_bm4295.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8474.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11899.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8474.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28236.png

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

Summary

../../_images/fig_times14865.png

(a) Computation time