mp-1092268/GaSiCN/harm

Harmonic properties

../../_images/fig_bandos_pr16647.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21012.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16646.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216219.png

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

Summary

../../_images/fig_times27211.png

(a) Computation time