mp-559138/Ba2ZnB2O6/harm

Harmonic properties

../../_images/fig_bandos_pr7865.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11038.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7865.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27628.png

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

Summary

../../_images/fig_times13861.png

(a) Computation time