mp-1078469-2/CuPN2/harm

Harmonic properties

../../_images/fig_bandos_pr16875.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21187.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16874.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216429.png

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

Summary

../../_images/fig_times27525.png

(a) Computation time