mp-1020181/Na2ZnB6O11/harm

Harmonic properties

../../_images/fig_bandos_pr94.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos109.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo94.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc293.png

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

Summary

../../_images/fig_times160.png

(a) Computation time