mp-680462/SiC4S4N4/harm

Harmonic properties

../../_images/fig_bandos_pr5168.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7365.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5168.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24973.png

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

Summary

../../_images/fig_times9286.png

(a) Computation time