mp-10928-2/BaC2S2N2/harm

Harmonic properties

../../_images/fig_bandos_pr675.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos568.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo675.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2586.png

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

Summary

../../_images/fig_times975.png

(a) Computation time