mp-9710-2/Sr2Si5N8/harm

Equation of state

../../_images/fig_bm408.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1198.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1115.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1198.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21064.png

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

Summary

../../_images/fig_times1800.png

(a) Computation time