mp-1043490/ZnBi2P2O10/harm

Harmonic properties

../../_images/fig_bandos_pr17246.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21742.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17245.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216787.png

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

Summary

../../_images/fig_times28219.png

(a) Computation time