mp-1219220/SiPN3/harm

Harmonic properties

../../_images/fig_bandos_pr15267.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19642.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15266.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214877.png

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

Summary

../../_images/fig_times25258.png

(a) Computation time