mp-36165/Na10Zn4O9/harm

Harmonic properties

../../_images/fig_bandos_pr10542.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14461.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10542.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210279.png

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

Summary

../../_images/fig_times18134.png

(a) Computation time