mp-17701/Sr2NbN3/harm

Harmonic properties

../../_images/fig_bandos_pr13985.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18364.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13985.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213613.png

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

Summary

../../_images/fig_times23414.png

(a) Computation time