mp-14587-2/ZnP4/harm

Harmonic properties

../../_images/fig_bandos_pr14490.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18847.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14490.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214109.png

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

Summary

../../_images/fig_times24126.png

(a) Computation time