mp-557323/Na2V2ZnO7/harm

Harmonic properties

../../_images/fig_bandos_pr8412.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11820.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8412.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28174.png

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

Summary

../../_images/fig_times14768.png

(a) Computation time