mp-6824-2/Na2ZrSi4O11/harm

Harmonic properties

../../_images/fig_bandos_pr6182.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9055.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6182.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25973.png

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

Summary

../../_images/fig_times11261.png

(a) Computation time