mp-698416/CdH12C2N2Cl4/harm

Harmonic properties

../../_images/fig_bandos_pr4734.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6583.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4734.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24545.png

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

Summary

../../_images/fig_times8398.png

(a) Computation time