mp-567699/HgB2C8N8/harm

Harmonic properties

../../_images/fig_bandos_pr7192.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10179.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7192.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26960.png

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

Summary

../../_images/fig_times12804.png

(a) Computation time