mp-17518/Sr2TaN3/harm

Harmonic properties

../../_images/fig_bandos_pr13941.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18327.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13941.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213569.png

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

Summary

../../_images/fig_times23353.png

(a) Computation time