mp-554856/Na2Si2O5/harm

Equation of state

../../_images/fig_bm4435.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8785.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12372.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8785.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28546.png

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

Summary

../../_images/fig_times15404.png

(a) Computation time