mp-39215/Zn3GaB6PO12/harm

Harmonic properties

../../_images/fig_bandos_pr10273.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14211.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10273.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210023.png

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

Summary

../../_images/fig_times17756.png

(a) Computation time