mp-9710/Sr2Si5N8/harm

Harmonic properties

../../_images/fig_bandos_pr1197.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1114.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1197.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21063.png

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

Summary

../../_images/fig_times1799.png

(a) Computation time