mp-1043451/Ti2ZnP2O10/harm

Harmonic properties

../../_images/fig_bandos_pr17244.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21740.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17243.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216785.png

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

Summary

../../_images/fig_times28217.png

(a) Computation time