mp-557920/Zn3P2O8/harm

Harmonic properties

../../_images/fig_bandos_pr8219.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11560.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8219.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27981.png

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

Summary

../../_images/fig_times14462.png

(a) Computation time