mp-6481/Na2ZnSi3O8/harm

Harmonic properties

../../_images/fig_bandos_pr6436.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9280.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6436.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26226.png

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

Summary

../../_images/fig_times11584.png

(a) Computation time