mp-1029262-2/VZn2N3/harm

Harmonic properties

../../_images/fig_bandos_pr17176.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21583.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17175.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216717.png

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

Summary

../../_images/fig_times28038.png

(a) Computation time