mp-567278/SrSi6N8/harm

Harmonic properties

../../_images/fig_bandos_pr7149.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10137.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7149.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26920.png

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

Summary

../../_images/fig_times12741.png

(a) Computation time