mp-557974/BaZn2B2O6/harm

Harmonic properties

../../_images/fig_bandos_pr8234.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11576.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8234.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27996.png

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

Summary

../../_images/fig_times14480.png

(a) Computation time