mp-567741/PC2N3Cl4/harm

Harmonic properties

../../_images/fig_bandos_pr7199.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10185.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7199.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26967.png

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

Summary

../../_images/fig_times12813.png

(a) Computation time