mp-729934-2/PtC4N2Cl6/harm

Harmonic properties

../../_images/fig_bandos_pr4034.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5382.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4034.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23847.png

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

Summary

../../_images/fig_times6993.png

(a) Computation time