mp-10928/BaC2S2N2/harm

Equation of state

../../_images/fig_bm240.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr674.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos567.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo674.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2585.png

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

Summary

../../_images/fig_times974.png

(a) Computation time