mp-1189989/C2NCl/harm

Harmonic properties

../../_images/fig_bandos_pr15949.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20358.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15948.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215544.png

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

Summary

../../_images/fig_times26265.png

(a) Computation time