mp-554383/Na2Si2O5/harm

Harmonic properties

../../_images/fig_bandos_pr8984.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12668.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8984.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28745.png

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

Summary

../../_images/fig_times15740.png

(a) Computation time