mp-1102523/Zn2PN3/harm

Harmonic properties

../../_images/fig_bandos_pr16543.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo16542.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc216118.png

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

Summary

../../_images/fig_times27078.png

(a) Computation time