mp-1193220/HgC6S4N2/harm

Harmonic properties

../../_images/fig_bandos_pr15829.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20218.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15828.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215424.png

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

Summary

../../_images/fig_times26073.png

(a) Computation time