mp-558580-2/Na2ZnSi2O6/harm

Equation of state

../../_images/fig_bm4135.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8053.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11322.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8053.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27815.png

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

Summary

../../_images/fig_times14193.png

(a) Computation time